# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bb68e07c-8a06-490a-8df5-ea605fd2fdce/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for SrHClO / P6_3mc (186) / materials id 24066](https://mdr.nims.go.jp/datasets/d06f4db1-3b25-497c-94bd-1f208ac96c4d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3mc" number: 186 Hall_symbol: "P 6c -2c"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.114861509999999, 0.000000000000000, 0.000000000000000 ] # a - [ -2.057430750000000, 3.563574590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.851715280000001 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.863176080000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363176080000000 ] mass: 1.007940 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.263610040000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.763610040000000 ] mass: 15.999400 - symbol: Cl # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.008290780000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.508290780000000 ] mass: 35.453000 - symbol: Sr # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.196423100000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696423100000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.243021544606006, 0.140308554278049, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.280617109238059, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.101505166519591 ] # c*unit_cell: lattice: - [ 4.114861510000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.057430750000000, 3.563574590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.851715280000001 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.863176080000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363176080000000 ] mass: 1.007940 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.263610040000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.763610040000000 ] mass: 15.999400 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.008290780000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.508290780000000 ] mass: 35.453000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.196423100000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696423100000000 ] mass: 87.620000 reduced_to: 8supercell: lattice: - [ 12.344584529999999, 0.000000000000000, 0.000000000000000 ] # a - [ -6.172292250000000, 10.690723770000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.703430560000001 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.431588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 13 coordinates: [ 0.000000000000000, 0.333333333333333, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 14 coordinates: [ 0.333333333333333, 0.333333333333333, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 15 coordinates: [ 0.666666666666667, 0.333333333333333, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 16 coordinates: [ 0.000000000000000, 0.666666666666667, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 17 coordinates: [ 0.333333333333333, 0.666666666666667, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 18 coordinates: [ 0.666666666666667, 0.666666666666667, 0.931588040000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.333333333333333, 0.000000000000000, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.666666666666667, 0.000000000000000, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 22 coordinates: [ 0.000000000000000, 0.333333333333333, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 23 coordinates: [ 0.333333333333333, 0.333333333333333, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 24 coordinates: [ 0.666666666666667, 0.333333333333333, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 25 coordinates: [ 0.000000000000000, 0.666666666666667, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 26 coordinates: [ 0.333333333333333, 0.666666666666667, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 27 coordinates: [ 0.666666666666667, 0.666666666666667, 0.181588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 29 coordinates: [ 0.333333333333333, 0.000000000000000, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 30 coordinates: [ 0.666666666666667, 0.000000000000000, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 31 coordinates: [ 0.000000000000000, 0.333333333333333, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 32 coordinates: [ 0.333333333333333, 0.333333333333333, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 33 coordinates: [ 0.666666666666667, 0.333333333333333, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 34 coordinates: [ 0.000000000000000, 0.666666666666667, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 35 coordinates: [ 0.333333333333333, 0.666666666666667, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 36 coordinates: [ 0.666666666666667, 0.666666666666667, 0.681588040000000 ] mass: 1.007940 reduced_to: 19 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.131805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.631805020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.381805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 65 coordinates: [ 0.333333333333333, 0.000000000000000, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 66 coordinates: [ 0.666666666666667, 0.000000000000000, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.333333333333333, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 68 coordinates: [ 0.333333333333333, 0.333333333333333, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 69 coordinates: [ 0.666666666666667, 0.333333333333333, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 70 coordinates: [ 0.000000000000000, 0.666666666666667, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 71 coordinates: [ 0.333333333333333, 0.666666666666667, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 72 coordinates: [ 0.666666666666667, 0.666666666666667, 0.881805020000000 ] mass: 15.999400 reduced_to: 55 - symbol: Cl # 73 coordinates: [ 0.222222223333333, 0.111111110000000, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.555555556666667, 0.111111110000000, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.888888890000000, 0.111111110000000, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.222222223333333, 0.444444443333333, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.555555556666667, 0.444444443333333, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 78 coordinates: [ 0.888888890000000, 0.444444443333333, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 79 coordinates: [ 0.222222223333333, 0.777777776666667, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 80 coordinates: [ 0.555555556666667, 0.777777776666667, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 81 coordinates: [ 0.888888890000000, 0.777777776666667, 0.004145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 82 coordinates: [ 0.222222223333333, 0.111111110000000, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 83 coordinates: [ 0.555555556666667, 0.111111110000000, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 84 coordinates: [ 0.888888890000000, 0.111111110000000, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 85 coordinates: [ 0.222222223333333, 0.444444443333333, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 86 coordinates: [ 0.555555556666667, 0.444444443333333, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 87 coordinates: [ 0.888888890000000, 0.444444443333333, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 88 coordinates: [ 0.222222223333333, 0.777777776666667, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 89 coordinates: [ 0.555555556666667, 0.777777776666667, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 90 coordinates: [ 0.888888890000000, 0.777777776666667, 0.504145390000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 91 coordinates: [ 0.111111110000000, 0.222222223333333, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 92 coordinates: [ 0.444444443333333, 0.222222223333333, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 93 coordinates: [ 0.777777776666667, 0.222222223333333, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 94 coordinates: [ 0.111111110000000, 0.555555556666667, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 95 coordinates: [ 0.444444443333333, 0.555555556666667, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 96 coordinates: [ 0.777777776666667, 0.555555556666667, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 97 coordinates: [ 0.111111110000000, 0.888888890000000, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 98 coordinates: [ 0.444444443333333, 0.888888890000000, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 99 coordinates: [ 0.777777776666667, 0.888888890000000, 0.254145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 100 coordinates: [ 0.111111110000000, 0.222222223333333, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 101 coordinates: [ 0.444444443333333, 0.222222223333333, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 102 coordinates: [ 0.777777776666667, 0.222222223333333, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 103 coordinates: [ 0.111111110000000, 0.555555556666667, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 104 coordinates: [ 0.444444443333333, 0.555555556666667, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 105 coordinates: [ 0.777777776666667, 0.555555556666667, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 106 coordinates: [ 0.111111110000000, 0.888888890000000, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 107 coordinates: [ 0.444444443333333, 0.888888890000000, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 108 coordinates: [ 0.777777776666667, 0.888888890000000, 0.754145390000000 ] mass: 35.453000 reduced_to: 91 - symbol: Sr # 109 coordinates: [ 0.111111110000000, 0.222222223333333, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 110 coordinates: [ 0.444444443333333, 0.222222223333333, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 111 coordinates: [ 0.777777776666667, 0.222222223333333, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 112 coordinates: [ 0.111111110000000, 0.555555556666667, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 113 coordinates: [ 0.444444443333333, 0.555555556666667, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 114 coordinates: [ 0.777777776666667, 0.555555556666667, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 115 coordinates: [ 0.111111110000000, 0.888888890000000, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 116 coordinates: [ 0.444444443333333, 0.888888890000000, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 117 coordinates: [ 0.777777776666667, 0.888888890000000, 0.098211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 118 coordinates: [ 0.111111110000000, 0.222222223333333, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 119 coordinates: [ 0.444444443333333, 0.222222223333333, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 120 coordinates: [ 0.777777776666667, 0.222222223333333, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 121 coordinates: [ 0.111111110000000, 0.555555556666667, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 122 coordinates: [ 0.444444443333333, 0.555555556666667, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 123 coordinates: [ 0.777777776666667, 0.555555556666667, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 124 coordinates: [ 0.111111110000000, 0.888888890000000, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 125 coordinates: [ 0.444444443333333, 0.888888890000000, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 126 coordinates: [ 0.777777776666667, 0.888888890000000, 0.598211550000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 127 coordinates: [ 0.222222223333333, 0.111111110000000, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 128 coordinates: [ 0.555555556666667, 0.111111110000000, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 129 coordinates: [ 0.888888890000000, 0.111111110000000, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 130 coordinates: [ 0.222222223333333, 0.444444443333333, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 131 coordinates: [ 0.555555556666667, 0.444444443333333, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 132 coordinates: [ 0.888888890000000, 0.444444443333333, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 133 coordinates: [ 0.222222223333333, 0.777777776666667, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 134 coordinates: [ 0.555555556666667, 0.777777776666667, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 135 coordinates: [ 0.888888890000000, 0.777777776666667, 0.348211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 136 coordinates: [ 0.222222223333333, 0.111111110000000, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 137 coordinates: [ 0.555555556666667, 0.111111110000000, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 138 coordinates: [ 0.888888890000000, 0.111111110000000, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 139 coordinates: [ 0.222222223333333, 0.444444443333333, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 140 coordinates: [ 0.555555556666667, 0.444444443333333, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 141 coordinates: [ 0.888888890000000, 0.444444443333333, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 142 coordinates: [ 0.222222223333333, 0.777777776666667, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 143 coordinates: [ 0.555555556666667, 0.777777776666667, 0.848211550000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 144 coordinates: [ 0.888888890000000, 0.777777776666667, 0.848211550000000 ] mass: 87.620000 reduced_to: 127born_effective_charge:- # 1 (H) - [ 0.411919590000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.411919590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.291296170000000 ]- # 2 (H) - [ 0.411919590000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.411919590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.291296170000000 ]- # 3 (O) - [ -1.733496390000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.733496390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.233377470000000 ]- # 4 (O) - [ -1.733496390000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.733496390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.233377470000000 ]- # 5 (Cl) - [ -1.107223270000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.107223270000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.303567290000000 ]- # 6 (Cl) - [ -1.107223270000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.107223270000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.303567290000000 ]- # 7 (Sr) - [ 2.428800070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.428800070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.245648590000000 ]- # 8 (Sr) - [ 2.428800070000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.428800070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.245648590000000 ]dielectric_constant: - [ 2.884307770000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.884307770000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.803666020000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0132851900000000, -0.0000058400000000, -0.0022264300000000 ] - [ 0.0004398300000000, -0.0000972500000000, -0.0001098800000000 ] - [ 0.0004369100000000, 0.0000971300000000, -0.0000254800000000 ] - [ -0.0000333700000000, -0.0003692700000000, 0.0000459200000000 ] - [ -0.0000337400000000, 0.0003699500000000, -0.0001809100000000 ] - [ 0.0000712800000000, 0.0000003000000000, -0.0000659000000000 ] - [ -0.0000351100000000, -0.0001749600000000, 0.0000017400000000 ] - [ 0.0000712500000000, 0.0000000000000000, -0.0000666500000000 ] - [ -0.0000319700000000, 0.0001755600000000, -0.0001369500000000 ] - [ 0.0000024900000000, -0.0000000300000000, -0.0000674400000000 ] - [ -0.0000012300000000, 0.0000000200000000, -0.0000652400000000 ] - [ -0.0000012300000000, -0.0000000200000000, -0.0000679100000000 ] - [ 0.0000007300000000, 0.0000012300000000, -0.0000708800000000 ] - [ 0.0000007700000000, -0.0000011400000000, -0.0000654800000000 ] - [ -0.0000014300000000, 0.0000000500000000, -0.0000666300000000 ] - [ 0.0000007400000000, 0.0000011100000000, -0.0000656900000000 ] - [ -0.0000014700000000, 0.0000000000000000, -0.0000692400000000 ] - [ 0.0000007900000000, -0.0000011300000000, -0.0000678300000000 ] - [ 0.0000558600000000, 0.0000002900000000, -0.0000687900000000 ] - [ -0.0000310800000000, -0.0000353000000000, -0.0000673600000000 ] - [ -0.0000306900000000, 0.0000348800000000, -0.0000689400000000 ] - [ -0.0000072700000000, -0.0000001100000000, -0.0000617600000000 ] - [ -0.0000084100000000, 0.0000001600000000, -0.0000739400000000 ] - [ 0.0000196700000000, 0.0000004900000000, -0.0000679700000000 ] - [ 0.0000108500000000, 0.0000376000000000, -0.0000608000000000 ] - [ -0.0000092300000000, -0.0000001200000000, -0.0000657000000000 ] - [ 0.0000109500000000, -0.0000375500000000, -0.0000717900000000 ] - [ 0.0000558200000000, 0.0000002200000000, -0.0000666600000000 ] - [ -0.0000309700000000, 0.0000135500000000, -0.0000401700000000 ] - [ -0.0000307800000000, -0.0000134200000000, -0.0000926700000000 ] - [ -0.0000078100000000, 0.0000482200000000, -0.0000768600000000 ] - [ -0.0000078100000000, -0.0000485600000000, -0.0000576600000000 ] - [ 0.0000196100000000, 0.0000001000000000, -0.0000656400000000 ] - [ 0.0000110200000000, -0.0000110600000000, -0.0000519800000000 ] - [ -0.0000092000000000, 0.0000000200000000, -0.0000687800000000 ] - [ 0.0000107500000000, 0.0000108800000000, -0.0000860000000000 ] - [ -0.0000627900000000, -0.0000001300000000, 0.0000526100000000 ] - [ 0.0000415400000000, 0.0000446400000000, 0.0000226600000000 ] - [ 0.0000409400000000, -0.0000437400000000, 0.0000797400000000 ] - [ 0.0000079700000000, -0.0000055800000000, 0.0000438500000000 ] - [ 0.0000094000000000, 0.0000060500000000, 0.0000576000000000 ] - [ -0.0000210800000000, -0.0000003900000000, 0.0000511100000000 ] - [ -0.0000182800000000, -0.0000473000000000, 0.0000150900000000 ] - [ 0.0000208800000000, 0.0000003500000000, 0.0000478300000000 ] - [ -0.0000184600000000, 0.0000474400000000, 0.0000820700000000 ] - [ 0.0005763600000000, 0.0000022500000000, 0.0000505800000000 ] - [ -0.0003077500000000, 0.0001888500000000, -0.0002165500000000 ] - [ -0.0003087400000000, -0.0001865400000000, 0.0003132000000000 ] - [ 0.0002274000000000, 0.0002565300000000, 0.0003181800000000 ] - [ 0.0002271600000000, -0.0002585100000000, -0.0002197500000000 ] - [ -0.0005376600000000, -0.0000023300000000, 0.0000475100000000 ] - [ 0.0000216500000000, 0.0002410300000000, 0.0000567700000000 ] - [ -0.0000228500000000, 0.0000003100000000, 0.0000518200000000 ] - [ 0.0000183000000000, -0.0002412900000000, 0.0000495200000000 ] - [ 0.0103725900000000, 0.0000000200000000, 0.0022309700000000 ] - [ -0.0007238500000000, 0.0000043700000000, 0.0005026200000000 ] - [ -0.0007155100000000, -0.0000032600000000, -0.0003978500000000 ] - [ -0.0000247300000000, 0.0003803300000000, -0.0003009200000000 ] - [ -0.0000216500000000, -0.0003854900000000, 0.0003994500000000 ] - [ -0.0001336300000000, -0.0000013600000000, 0.0000478100000000 ] - [ -0.0000397300000000, 0.0004098800000000, 0.0001522900000000 ] - [ -0.0001244200000000, 0.0000002600000000, 0.0000493000000000 ] - [ -0.0000465100000000, -0.0004097600000000, -0.0000522900000000 ] - [ 0.0000275400000000, 0.0000001300000000, 0.0000499400000000 ] - [ -0.0000133900000000, 0.0000071400000000, 0.0000339700000000 ] - [ -0.0000135700000000, -0.0000069600000000, 0.0000639900000000 ] - [ 0.0000128800000000, 0.0000085600000000, 0.0000635000000000 ] - [ 0.0000128000000000, -0.0000088000000000, 0.0000385700000000 ] - [ -0.0000250600000000, -0.0000002600000000, 0.0000489500000000 ] - [ 0.0000012100000000, 0.0000147500000000, 0.0000431300000000 ] - [ -0.0000016000000000, -0.0000001000000000, 0.0000523200000000 ] - [ 0.0000009900000000, -0.0000150900000000, 0.0000553500000000 ] - [ 0.0000002800000000, 0.0000075800000000, 0.0000068900000000 ] - [ -0.0000001400000000, 0.0000000400000000, 0.0000159600000000 ] - [ -0.0000000800000000, -0.0000075800000000, 0.0000249500000000 ] - [ 0.0000059000000000, 0.0000000500000000, 0.0000160700000000 ] - [ -0.0000030000000000, 0.0000015800000000, 0.0000148700000000 ] - [ -0.0000031100000000, -0.0000017000000000, 0.0000171500000000 ] - [ 0.0000059200000000, -0.0000000300000000, 0.0000075200000000 ] - [ 0.0000059200000000, 0.0000001400000000, 0.0000246300000000 ] - [ -0.0000128900000000, -0.0000000400000000, 0.0000159800000000 ] - [ -0.0011560800000000, -0.0013294500000000, -0.0016112300000000 ] - [ -0.0004735100000000, -0.0000000700000000, 0.0000154900000000 ] - [ -0.0011630500000000, 0.0013182500000000, 0.0016321900000000 ] - [ 0.0001893900000000, -0.0000001000000000, 0.0000161800000000 ] - [ -0.0001026200000000, -0.0002161200000000, 0.0000311400000000 ] - [ -0.0001009500000000, 0.0002130100000000, 0.0000007500000000 ] - [ -0.0001991400000000, 0.0002254300000000, -0.0000607800000000 ] - [ -0.0002000400000000, -0.0002238300000000, 0.0000918700000000 ] - [ 0.0011331400000000, -0.0000114600000000, 0.0000255900000000 ] - [ 0.0001271000000000, 0.0000038900000000, 0.0000144200000000 ] - [ -0.0001114200000000, -0.0000492600000000, 0.0000765600000000 ] - [ -0.0001087100000000, 0.0000470200000000, -0.0000401600000000 ] - [ 0.0000120500000000, 0.0000262300000000, 0.0000288900000000 ] - [ 0.0000118600000000, -0.0000262700000000, 0.0000035500000000 ] - [ -0.0000267600000000, -0.0000014100000000, 0.0000152200000000 ] - [ 0.0004487900000000, -0.0001838500000000, -0.0003170800000000 ] - [ -0.0000336100000000, 0.0000002900000000, 0.0000166100000000 ] - [ 0.0004417900000000, 0.0001834500000000, 0.0003521700000000 ] - [ 0.0000557300000000, 0.0000001000000000, 0.0000157600000000 ] - [ -0.0000268500000000, -0.0000171200000000, -0.0000963200000000 ] - [ -0.0000269000000000, 0.0000169100000000, 0.0001277400000000 ] - [ -0.0000006500000000, 0.0000337200000000, 0.0000316100000000 ] - [ -0.0000009400000000, -0.0000343600000000, 0.0000003400000000 ] - [ 0.0000026300000000, -0.0000004100000000, 0.0000165800000000 ] - [ 0.0000298100000000, 0.0000152700000000, -0.0000718300000000 ] - [ -0.0000597200000000, 0.0000000900000000, 0.0000158900000000 ] - [ 0.0000294900000000, -0.0000148300000000, 0.0001045400000000 ] - [ 0.0000000500000000, -0.0000002100000000, 0.0000021300000000 ] - [ -0.0000003400000000, -0.0000198800000000, -0.0000177000000000 ] - [ 0.0000002500000000, 0.0000197300000000, 0.0000187700000000 ] - [ -0.0000174800000000, 0.0000116400000000, 0.0000130200000000 ] - [ -0.0000175200000000, -0.0000122600000000, -0.0000100800000000 ] - [ 0.0000340600000000, 0.0000002300000000, 0.0000018500000000 ] - [ 0.0000317300000000, -0.0000190200000000, 0.0000999300000000 ] - [ -0.0000378300000000, -0.0000004000000000, 0.0000009000000000 ] - [ 0.0000327900000000, 0.0000183700000000, -0.0000971300000000 ] - [ -0.0018892200000000, -0.0000024700000000, 0.0000004900000000 ] - [ 0.0010441500000000, 0.0005326000000000, 0.0006810900000000 ] - [ 0.0010387300000000, -0.0005303200000000, -0.0006742200000000 ] - [ -0.0000406600000000, -0.0003030500000000, 0.0000349600000000 ] - [ -0.0000387800000000, 0.0003037400000000, -0.0000321500000000 ] - [ 0.0001211600000000, 0.0000051000000000, -0.0000017200000000 ] - [ -0.0001127700000000, -0.0010330700000000, 0.0010664800000000 ] - [ 0.0004859700000000, -0.0000005100000000, 0.0000018700000000 ] - [ -0.0001006200000000, 0.0010252100000000, -0.0010662100000000 ] - [ 0.0024601700000000, 0.0020386400000000, -0.0048929800000000 ] - [ 0.0004505100000000, 0.0000013100000000, 0.0000006400000000 ] - [ 0.0024860800000000, -0.0020115300000000, 0.0048620000000000 ] - [ -0.0002654200000000, -0.0000015700000000, 0.0000003600000000 ] - [ 0.0001262000000000, 0.0001900100000000, -0.0000818000000000 ] - [ 0.0001246800000000, -0.0001858000000000, 0.0000847600000000 ] - [ 0.0001856600000000, -0.0002629300000000, -0.0003381500000000 ] - [ 0.0001858700000000, 0.0002578600000000, 0.0003379300000000 ] - [ -0.0010343400000000, 0.0000101700000000, 0.0000134800000000 ] - [ -0.0000381600000000, 0.0000051200000000, 0.0000466100000000 ] - [ 0.0000750400000000, 0.0000001600000000, 0.0000013400000000 ] - [ -0.0000378000000000, -0.0000055400000000, -0.0000440900000000 ] - [ -0.0000256700000000, 0.0000002500000000, 0.0000011400000000 ] - [ 0.0000127500000000, 0.0000363600000000, 0.0000264900000000 ] - [ 0.0000122200000000, -0.0000354900000000, -0.0000239200000000 ] - [ 0.0000226400000000, -0.0000282700000000, 0.0000193800000000 ] - [ 0.0000234400000000, 0.0000286200000000, -0.0000172400000000 ] - [ -0.0000468400000000, -0.0000000300000000, 0.0000014100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.4455966700000000 ] - [ 0.0000424100000000, -0.0001075000000000, -0.0002160700000000 ] - [ -0.0000424100000000, -0.0001075000000000, -0.0002160700000000 ] - [ 0.0000719000000000, 0.0000904800000000, -0.0002160700000000 ] - [ -0.0000719000000000, 0.0000904800000000, -0.0002160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132500000000 ] - [ 0.0001143100000000, 0.0000170300000000, -0.0002160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143100000000 ] - [ -0.0001143100000000, 0.0000170300000000, -0.0002160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000432800000000 ] - [ -0.0000014500000000, 0.0000008500000000, -0.0000427800000000 ] - [ 0.0000014500000000, 0.0000008500000000, -0.0000427800000000 ] - [ -0.0000000100000000, -0.0000016800000000, -0.0000427800000000 ] - [ 0.0000000100000000, -0.0000016800000000, -0.0000427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000432500000000 ] - [ -0.0000014700000000, 0.0000008300000000, -0.0000427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400100000000 ] - [ 0.0000014700000000, 0.0000008300000000, -0.0000427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000323900000000 ] - [ -0.0000267400000000, 0.0000035900000000, -0.0000440300000000 ] - [ 0.0000267400000000, 0.0000035900000000, -0.0000440300000000 ] - [ 0.0000102600000000, -0.0000249500000000, -0.0000440300000000 ] - [ -0.0000102600000000, -0.0000249500000000, -0.0000440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000396200000000 ] - [ -0.0000164800000000, 0.0000213600000000, -0.0000440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561800000000 ] - [ 0.0000164800000000, 0.0000213600000000, -0.0000440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000349500000000 ] - [ -0.0000004700000000, 0.0000068400000000, -0.0000436100000000 ] - [ 0.0000004700000000, 0.0000068400000000, -0.0000436100000000 ] - [ -0.0000056800000000, -0.0000038300000000, -0.0000436100000000 ] - [ 0.0000056800000000, -0.0000038300000000, -0.0000436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380600000000 ] - [ -0.0000061600000000, -0.0000030100000000, -0.0000436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555200000000 ] - [ 0.0000061600000000, -0.0000030100000000, -0.0000436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000725400000000 ] - [ 0.0000359900000000, -0.0000064200000000, -0.0000432500000000 ] - [ -0.0000359900000000, -0.0000064200000000, -0.0000432500000000 ] - [ -0.0000124400000000, 0.0000343800000000, -0.0000432500000000 ] - [ 0.0000124400000000, 0.0000343800000000, -0.0000432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000683900000000 ] - [ 0.0000235500000000, -0.0000279600000000, -0.0000432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070100000000 ] - [ -0.0000235500000000, -0.0000279600000000, -0.0000432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003943100000000 ] - [ -0.0001400300000000, 0.0000152600000000, -0.0000284700000000 ] - [ 0.0001400300000000, 0.0000152600000000, -0.0000284700000000 ] - [ 0.0000568000000000, -0.0001289000000000, -0.0000284700000000 ] - [ -0.0000568000000000, -0.0001289000000000, -0.0000284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207400000000 ] - [ -0.0000832300000000, 0.0001136400000000, -0.0000284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000494800000000 ] - [ 0.0000832300000000, 0.0001136400000000, -0.0000284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4355553000000000 ] - [ 0.0003803400000000, -0.0000016000000000, 0.0003473700000000 ] - [ -0.0003803400000000, -0.0000016000000000, 0.0003473700000000 ] - [ -0.0001887800000000, 0.0003301900000000, 0.0003473700000000 ] - [ 0.0001887800000000, 0.0003301900000000, 0.0003473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383000000000 ] - [ 0.0001915600000000, -0.0003285900000000, 0.0003473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001953400000000 ] - [ -0.0001915600000000, -0.0003285900000000, 0.0003473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000529200000000 ] - [ -0.0000080900000000, 0.0000005100000000, -0.0000452800000000 ] - [ 0.0000080900000000, 0.0000005100000000, -0.0000452800000000 ] - [ 0.0000036000000000, -0.0000072600000000, -0.0000452800000000 ] - [ -0.0000036000000000, -0.0000072600000000, -0.0000452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000427700000000 ] - [ -0.0000044800000000, 0.0000067500000000, -0.0000452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000415500000000 ] - [ 0.0000044800000000, 0.0000067500000000, -0.0000452800000000 ] - [ 0.0000023800000000, 0.0000013700000000, -0.0000840000000000 ] - [ 0.0000000000000000, -0.0000045800000000, -0.0000760500000000 ] - [ -0.0000023800000000, 0.0000013700000000, -0.0000840000000000 ] - [ 0.0000000000000000, 0.0000069600000000, -0.0000737700000000 ] - [ -0.0000039700000000, 0.0000022900000000, -0.0000760500000000 ] - [ 0.0000039700000000, 0.0000022900000000, -0.0000760500000000 ] - [ 0.0000060300000000, -0.0000034800000000, -0.0000737700000000 ] - [ -0.0000060300000000, -0.0000034800000000, -0.0000737700000000 ] - [ 0.0000000000000000, -0.0000027500000000, -0.0000840000000000 ] - [ -0.0005681800000000, -0.0003280400000000, 0.0010925900000000 ] - [ 0.0000000000000000, 0.0000363500000000, 0.0001795400000000 ] - [ 0.0005681800000000, -0.0003280400000000, 0.0010925900000000 ] - [ 0.0000000000000000, -0.0000724000000000, 0.0002063700000000 ] - [ 0.0000314800000000, -0.0000181700000000, 0.0001795400000000 ] - [ -0.0000314800000000, -0.0000181700000000, 0.0001795400000000 ] - [ -0.0000627000000000, 0.0000362000000000, 0.0002063700000000 ] - [ 0.0000627000000000, 0.0000362000000000, 0.0002063700000000 ] - [ 0.0000000000000000, 0.0006560800000000, 0.0010925900000000 ] - [ 0.0000000000000000, 0.0000098400000000, -0.0001873500000000 ] - [ 0.0001604400000000, 0.0000926300000000, -0.0001200900000000 ] - [ -0.0001604400000000, 0.0000926300000000, -0.0001200900000000 ] - [ 0.0000127600000000, 0.0000073700000000, 0.0000118300000000 ] - [ -0.0000127600000000, 0.0000073700000000, 0.0000118300000000 ] - [ 0.0000000000000000, -0.0001852600000000, -0.0001200900000000 ] - [ 0.0000085200000000, -0.0000049200000000, -0.0001873500000000 ] - [ 0.0000000000000000, -0.0000147400000000, 0.0000118300000000 ] - [ -0.0000085200000000, -0.0000049200000000, -0.0001873500000000 ] - [ 0.0000000000000000, -0.0000305100000000, -0.0001137300000000 ] - [ -0.0000060800000000, -0.0000035100000000, -0.0000753200000000 ] - [ 0.0000060800000000, -0.0000035100000000, -0.0000753200000000 ] - [ -0.0000094600000000, -0.0000054600000000, -0.0000468900000000 ] - [ 0.0000094600000000, -0.0000054600000000, -0.0000468900000000 ] - [ 0.0000000000000000, 0.0000070200000000, -0.0000753200000000 ] - [ -0.0000264200000000, 0.0000152600000000, -0.0001137300000000 ] - [ 0.0000000000000000, 0.0000109200000000, -0.0000468900000000 ] - [ 0.0000264200000000, 0.0000152600000000, -0.0001137300000000 ] - [ 0.0000000000000000, -0.0000225200000000, 0.0002023700000000 ] - [ 0.0000061500000000, 0.0000035500000000, 0.0001724700000000 ] - [ -0.0000061500000000, 0.0000035500000000, 0.0001724700000000 ] - [ -0.0000185200000000, -0.0000106900000000, 0.0001197700000000 ] - [ 0.0000185200000000, -0.0000106900000000, 0.0001197700000000 ] - [ 0.0000000000000000, -0.0000071000000000, 0.0001724700000000 ] - [ -0.0000195100000000, 0.0000112600000000, 0.0002023700000000 ] - [ 0.0000000000000000, 0.0000213900000000, 0.0001197700000000 ] - [ 0.0000195100000000, 0.0000112600000000, 0.0002023700000000 ] - [ 0.0000000000000000, 0.0007320600000000, 0.0005327800000000 ] - [ 0.0002652400000000, 0.0001531400000000, 0.0002286400000000 ] - [ -0.0002652400000000, 0.0001531400000000, 0.0002286400000000 ] - [ 0.0000761000000000, 0.0000439400000000, -0.0000518600000000 ] - [ -0.0000761000000000, 0.0000439400000000, -0.0000518600000000 ] - [ 0.0000000000000000, -0.0003062800000000, 0.0002286400000000 ] - [ 0.0006339800000000, -0.0003660300000000, 0.0005327800000000 ] - [ 0.0000000000000000, -0.0000878800000000, -0.0000518600000000 ] - [ -0.0006339800000000, -0.0003660300000000, 0.0005327800000000 ] - [ -0.0027106000000000, -0.0015649600000000, 0.0018219800000000 ] - [ 0.0000000000000000, -0.0000343000000000, -0.0002488500000000 ] - [ 0.0027106000000000, -0.0015649600000000, 0.0018219800000000 ] - [ 0.0000000000000000, -0.0003037400000000, -0.0001452000000000 ] - [ -0.0000297000000000, 0.0000171500000000, -0.0002488500000000 ] - [ 0.0000297000000000, 0.0000171500000000, -0.0002488500000000 ] - [ -0.0002630500000000, 0.0001518700000000, -0.0001452000000000 ] - [ 0.0002630500000000, 0.0001518700000000, -0.0001452000000000 ] - [ 0.0000000000000000, 0.0031299300000000, 0.0018219800000000 ] - [ 0.0000166000000000, 0.0000095800000000, 0.0001832100000000 ] - [ 0.0000000000000000, -0.0000058100000000, 0.0001558100000000 ] - [ -0.0000166000000000, 0.0000095800000000, 0.0001832100000000 ] - [ 0.0000000000000000, 0.0000246600000000, 0.0001572600000000 ] - [ -0.0000050300000000, 0.0000029100000000, 0.0001558100000000 ] - [ 0.0000050300000000, 0.0000029100000000, 0.0001558100000000 ] - [ 0.0000213600000000, -0.0000123300000000, 0.0001572600000000 ] - [ -0.0000213600000000, -0.0000123300000000, 0.0001572600000000 ] - [ 0.0000000000000000, -0.0000191700000000, 0.0001832100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.4793384900000000 ] - [ -0.0000415700000000, 0.0001055700000000, 0.0000865900000000 ] - [ 0.0000415700000000, 0.0001055700000000, 0.0000865900000000 ] - [ -0.0000706400000000, -0.0000887900000000, 0.0000865900000000 ] - [ 0.0000706400000000, -0.0000887900000000, 0.0000865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000159800000000 ] - [ -0.0001122100000000, -0.0000167900000000, 0.0000865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000176300000000 ] - [ 0.0001122100000000, -0.0000167900000000, 0.0000865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000857000000000 ] - [ 0.0000014000000000, -0.0000008300000000, -0.0000854900000000 ] - [ -0.0000014000000000, -0.0000008300000000, -0.0000854900000000 ] - [ 0.0000000100000000, 0.0000016300000000, -0.0000854900000000 ] - [ -0.0000000100000000, 0.0000016300000000, -0.0000854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000846200000000 ] - [ 0.0000014200000000, -0.0000008000000000, -0.0000854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000826600000000 ] - [ -0.0000014200000000, -0.0000008000000000, -0.0000854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916900000000 ] - [ 0.0000258200000000, -0.0000039900000000, -0.0000837500000000 ] - [ -0.0000258200000000, -0.0000039900000000, -0.0000837500000000 ] - [ -0.0000094500000000, 0.0000243600000000, -0.0000837500000000 ] - [ 0.0000094500000000, 0.0000243600000000, -0.0000837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000885600000000 ] - [ 0.0000163700000000, -0.0000203700000000, -0.0000837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000722400000000 ] - [ -0.0000163700000000, -0.0000203700000000, -0.0000837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930600000000 ] - [ 0.0000004300000000, -0.0000067100000000, -0.0000837100000000 ] - [ -0.0000004300000000, -0.0000067100000000, -0.0000837100000000 ] - [ 0.0000056000000000, 0.0000037300000000, -0.0000837100000000 ] - [ -0.0000056000000000, 0.0000037300000000, -0.0000837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000875100000000 ] - [ 0.0000060300000000, 0.0000029900000000, -0.0000837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000716200000000 ] - [ -0.0000060300000000, 0.0000029900000000, -0.0000837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001570200000000 ] - [ -0.0000347600000000, 0.0000069700000000, 0.0001314300000000 ] - [ 0.0000347600000000, 0.0000069700000000, 0.0001314300000000 ] - [ 0.0000113400000000, -0.0000335800000000, 0.0001314300000000 ] - [ -0.0000113400000000, -0.0000335800000000, 0.0001314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572600000000 ] - [ -0.0000234100000000, 0.0000266200000000, 0.0001314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000964500000000 ] - [ 0.0000234100000000, 0.0000266200000000, 0.0001314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004777600000000 ] - [ 0.0001376800000000, -0.0000145700000000, 0.0001164400000000 ] - [ -0.0001376800000000, -0.0000145700000000, 0.0001164400000000 ] - [ -0.0000562200000000, 0.0001265200000000, 0.0001164400000000 ] - [ 0.0000562200000000, 0.0001265200000000, 0.0001164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000663900000000 ] - [ 0.0000814600000000, -0.0001119500000000, 0.0001164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000396800000000 ] - [ -0.0000814600000000, -0.0001119500000000, 0.0001164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4693575100000000 ] - [ -0.0003753400000000, 0.0000021300000000, -0.0002531400000000 ] - [ 0.0003753400000000, 0.0000021300000000, -0.0002531400000000 ] - [ 0.0001858200000000, -0.0003261200000000, -0.0002531400000000 ] - [ -0.0001858200000000, -0.0003261200000000, -0.0002531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443800000000 ] - [ -0.0001895100000000, 0.0003239900000000, -0.0002531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992500000000 ] - [ 0.0001895100000000, 0.0003239900000000, -0.0002531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001425900000000 ] - [ 0.0000080700000000, -0.0000004400000000, 0.0001338000000000 ] - [ -0.0000080700000000, -0.0000004400000000, 0.0001338000000000 ] - [ -0.0000036500000000, 0.0000072100000000, 0.0001338000000000 ] - [ 0.0000036500000000, 0.0000072100000000, 0.0001338000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309300000000 ] - [ 0.0000044200000000, -0.0000067700000000, 0.0001338000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241400000000 ] - [ -0.0000044200000000, -0.0000067700000000, 0.0001338000000000 ] - [ -0.0000022400000000, -0.0000012900000000, 0.0001167400000000 ] - [ 0.0000000000000000, 0.0000046800000000, 0.0001090500000000 ] - [ 0.0000022400000000, -0.0000012900000000, 0.0001167400000000 ] - [ 0.0000000000000000, -0.0000064800000000, 0.0001065100000000 ] - [ 0.0000040500000000, -0.0000023400000000, 0.0001090500000000 ] - [ -0.0000040500000000, -0.0000023400000000, 0.0001090500000000 ] - [ -0.0000056100000000, 0.0000032400000000, 0.0001065100000000 ] - [ 0.0000056100000000, 0.0000032400000000, 0.0001065100000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0001167400000000 ] - [ 0.0005363300000000, 0.0003096500000000, -0.0010560200000000 ] - [ 0.0000000000000000, -0.0000354800000000, -0.0001421900000000 ] - [ -0.0005363300000000, 0.0003096500000000, -0.0010560200000000 ] - [ 0.0000000000000000, 0.0000712100000000, -0.0001682700000000 ] - [ -0.0000307300000000, 0.0000177400000000, -0.0001421900000000 ] - [ 0.0000307300000000, 0.0000177400000000, -0.0001421900000000 ] - [ 0.0000616700000000, -0.0000356100000000, -0.0001682700000000 ] - [ -0.0000616700000000, -0.0000356100000000, -0.0001682700000000 ] - [ 0.0000000000000000, -0.0006193000000000, -0.0010560200000000 ] - [ 0.0000000000000000, -0.0000043200000000, 0.0002178600000000 ] - [ -0.0001584200000000, -0.0000914600000000, 0.0001539600000000 ] - [ 0.0001584200000000, -0.0000914600000000, 0.0001539600000000 ] - [ -0.0000128200000000, -0.0000074000000000, 0.0000232700000000 ] - [ 0.0000128200000000, -0.0000074000000000, 0.0000232700000000 ] - [ 0.0000000000000000, 0.0001829300000000, 0.0001539600000000 ] - [ -0.0000037400000000, 0.0000021600000000, 0.0002178600000000 ] - [ 0.0000000000000000, 0.0000148100000000, 0.0000232700000000 ] - [ 0.0000037400000000, 0.0000021600000000, 0.0002178600000000 ] - [ 0.0000000000000000, 0.0000301000000000, 0.0001459100000000 ] - [ 0.0000061300000000, 0.0000035400000000, 0.0001078700000000 ] - [ -0.0000061300000000, 0.0000035400000000, 0.0001078700000000 ] - [ 0.0000093300000000, 0.0000053900000000, 0.0000801300000000 ] - [ -0.0000093300000000, 0.0000053900000000, 0.0000801300000000 ] - [ 0.0000000000000000, -0.0000070800000000, 0.0001078700000000 ] - [ 0.0000260700000000, -0.0000150500000000, 0.0001459100000000 ] - [ 0.0000000000000000, -0.0000107700000000, 0.0000801300000000 ] - [ -0.0000260700000000, -0.0000150500000000, 0.0001459100000000 ] - [ 0.0000000000000000, 0.0000214600000000, -0.0001943100000000 ] - [ -0.0000065500000000, -0.0000037800000000, -0.0001668200000000 ] - [ 0.0000065500000000, -0.0000037800000000, -0.0001668200000000 ] - [ 0.0000182300000000, 0.0000105300000000, -0.0001146300000000 ] - [ -0.0000182300000000, 0.0000105300000000, -0.0001146300000000 ] - [ 0.0000000000000000, 0.0000075600000000, -0.0001668200000000 ] - [ 0.0000185800000000, -0.0000107300000000, -0.0001943100000000 ] - [ 0.0000000000000000, -0.0000210500000000, -0.0001146300000000 ] - [ -0.0000185800000000, -0.0000107300000000, -0.0001943100000000 ] - [ 0.0000000000000000, -0.0007213200000000, -0.0005235800000000 ] - [ -0.0002600400000000, -0.0001501400000000, -0.0002201200000000 ] - [ 0.0002600400000000, -0.0001501400000000, -0.0002201200000000 ] - [ -0.0000745000000000, -0.0000430100000000, 0.0000543800000000 ] - [ 0.0000745000000000, -0.0000430100000000, 0.0000543800000000 ] - [ 0.0000000000000000, 0.0003002700000000, -0.0002201200000000 ] - [ -0.0006246800000000, 0.0003606600000000, -0.0005235800000000 ] - [ 0.0000000000000000, 0.0000860300000000, 0.0000543800000000 ] - [ 0.0006246800000000, 0.0003606600000000, -0.0005235800000000 ] - [ 0.0026724400000000, 0.0015429300000000, -0.0018129100000000 ] - [ 0.0000000000000000, 0.0000334200000000, 0.0002469000000000 ] - [ -0.0026724400000000, 0.0015429300000000, -0.0018129100000000 ] - [ 0.0000000000000000, 0.0002991200000000, 0.0001437600000000 ] - [ 0.0000289500000000, -0.0000167100000000, 0.0002469000000000 ] - [ -0.0000289500000000, -0.0000167100000000, 0.0002469000000000 ] - [ 0.0002590500000000, -0.0001495600000000, 0.0001437600000000 ] - [ -0.0002590500000000, -0.0001495600000000, 0.0001437600000000 ] - [ 0.0000000000000000, -0.0030858700000000, -0.0018129100000000 ] - [ -0.0000166000000000, -0.0000095800000000, -0.0001767800000000 ] - [ 0.0000000000000000, 0.0000057200000000, -0.0001497900000000 ] - [ 0.0000166000000000, -0.0000095800000000, -0.0001767800000000 ] - [ 0.0000000000000000, -0.0000241900000000, -0.0001513900000000 ] - [ 0.0000049600000000, -0.0000028600000000, -0.0001497900000000 ] - [ -0.0000049600000000, -0.0000028600000000, -0.0001497900000000 ] - [ -0.0000209500000000, 0.0000120900000000, -0.0001513900000000 ] - [ 0.0000209500000000, 0.0000120900000000, -0.0001513900000000 ] - [ 0.0000000000000000, 0.0000191700000000, -0.0001767800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000626100000000, 0.0000000600000000, -0.0000657900000000 ] - [ 0.0000412900000000, 0.0000129500000000, -0.0001045600000000 ] - [ 0.0000412800000000, -0.0000130200000000, -0.0000344700000000 ] - [ -0.0000180800000000, 0.0000097600000000, -0.0000433400000000 ] - [ -0.0000183700000000, -0.0000099000000000, -0.0000910600000000 ] - [ 0.0000209100000000, -0.0000000100000000, -0.0000675500000000 ] - [ 0.0000087600000000, -0.0000629700000000, -0.0000824200000000 ] - [ -0.0000210200000000, 0.0000000400000000, -0.0000671300000000 ] - [ 0.0000088200000000, 0.0000629400000000, -0.0000549600000000 ] - [ 0.0005764500000000, -0.0000007400000000, -0.0000662500000000 ] - [ -0.0003076100000000, -0.0000527000000000, 0.0000711900000000 ] - [ -0.0003086800000000, 0.0000505600000000, -0.0002065100000000 ] - [ 0.0000195100000000, 0.0003772400000000, -0.0001513600000000 ] - [ 0.0000206700000000, -0.0003771600000000, 0.0000145600000000 ] - [ -0.0000227800000000, -0.0000001200000000, -0.0000688000000000 ] - [ 0.0002275900000000, 0.0001221900000000, -0.0000088100000000 ] - [ -0.0005375700000000, 0.0000022300000000, -0.0000709300000000 ] - [ 0.0002270900000000, -0.0001207600000000, -0.0001249000000000 ] - [ 0.0103720700000000, 0.0000161900000000, -0.0023136600000000 ] - [ -0.0007214500000000, 0.0000198900000000, -0.0004475800000000 ] - [ -0.0007185700000000, -0.0000183900000000, 0.0003064000000000 ] - [ -0.0000247400000000, 0.0003986400000000, 0.0001201800000000 ] - [ -0.0000224100000000, -0.0003979900000000, -0.0002557500000000 ] - [ -0.0001338200000000, -0.0000000900000000, -0.0000696700000000 ] - [ -0.0000428300000000, 0.0003933100000000, -0.0002576500000000 ] - [ -0.0001248400000000, 0.0000003300000000, -0.0000666300000000 ] - [ -0.0000439900000000, -0.0003954800000000, 0.0001249400000000 ] - [ 0.0000272400000000, -0.0000000200000000, -0.0000668400000000 ] - [ -0.0000138100000000, 0.0000065500000000, -0.0000586900000000 ] - [ -0.0000138200000000, -0.0000065200000000, -0.0000757200000000 ] - [ 0.0000124900000000, 0.0000082600000000, -0.0000712200000000 ] - [ 0.0000125500000000, -0.0000081200000000, -0.0000626200000000 ] - [ -0.0000254000000000, 0.0000000600000000, -0.0000676100000000 ] - [ 0.0000007800000000, 0.0000154500000000, -0.0000633600000000 ] - [ -0.0000019900000000, 0.0000000200000000, -0.0000692300000000 ] - [ 0.0000007900000000, -0.0000154500000000, -0.0000745700000000 ] - [ -0.0612850200000000, 0.0006505100000000, 0.0026628400000000 ] - [ 0.0045005800000000, 0.0010708000000000, 0.0003049100000000 ] - [ 0.0044817600000000, -0.0010626300000000, -0.0002002400000000 ] - [ -0.0004166500000000, -0.0017762400000000, 0.0003265000000000 ] - [ -0.0004386500000000, 0.0017690100000000, -0.0002274500000000 ] - [ 0.0007743700000000, 0.0000004500000000, 0.0000530600000000 ] - [ -0.0004318600000000, -0.0039116600000000, 0.0005866900000000 ] - [ 0.0007744700000000, -0.0000032100000000, 0.0000502600000000 ] - [ -0.0004234800000000, 0.0039003300000000, -0.0004777100000000 ] - [ -0.0000789900000000, 0.0000003900000000, 0.0000488000000000 ] - [ 0.0000390900000000, 0.0000009700000000, 0.0000497000000000 ] - [ 0.0000390900000000, -0.0000003100000000, 0.0000492600000000 ] - [ -0.0000198800000000, -0.0000335300000000, 0.0000470500000000 ] - [ -0.0000200600000000, 0.0000335200000000, 0.0000513700000000 ] - [ 0.0000390700000000, -0.0000000400000000, 0.0000500300000000 ] - [ -0.0000200000000000, -0.0000345700000000, 0.0000478500000000 ] - [ 0.0000391900000000, 0.0000000700000000, 0.0000517900000000 ] - [ -0.0000201100000000, 0.0000348300000000, 0.0000547300000000 ] - [ -0.0008134400000000, 0.0000015300000000, 0.0000469700000000 ] - [ 0.0004318500000000, 0.0002328800000000, 0.0004258000000000 ] - [ 0.0004339400000000, -0.0002320200000000, -0.0003210800000000 ] - [ -0.0000535000000000, -0.0003367000000000, 0.0000333600000000 ] - [ -0.0000568500000000, 0.0003352600000000, 0.0000642900000000 ] - [ 0.0000892100000000, 0.0000001000000000, 0.0000503100000000 ] - [ -0.0003033700000000, -0.0003712800000000, 0.0004119700000000 ] - [ 0.0006939500000000, -0.0000018200000000, 0.0000498000000000 ] - [ -0.0003034700000000, 0.0003705300000000, -0.0003091300000000 ] - [ -0.0008133700000000, 0.0000010700000000, 0.0000496500000000 ] - [ 0.0004321100000000, 0.0000557400000000, -0.0003758100000000 ] - [ 0.0004336200000000, -0.0000526300000000, 0.0004762300000000 ] - [ -0.0000544800000000, -0.0005144100000000, 0.0003604400000000 ] - [ -0.0000558600000000, 0.0005139800000000, -0.0002573700000000 ] - [ 0.0000891800000000, 0.0000000600000000, 0.0000515200000000 ] - [ -0.0003038000000000, -0.0001937200000000, -0.0000713200000000 ] - [ 0.0006939100000000, -0.0000028800000000, 0.0000524800000000 ] - [ -0.0003029600000000, 0.0001915400000000, 0.0001687300000000 ] - [ 0.0003159700000000, 0.0015450900000000, -0.0026913100000000 ] - [ 0.0007425500000000, 0.0000012800000000, 0.0000160000000000 ] - [ 0.0003233500000000, -0.0015349700000000, 0.0027276900000000 ] - [ 0.0000911900000000, -0.0000086700000000, 0.0000235300000000 ] - [ -0.0000003300000000, 0.0004277000000000, 0.0000123800000000 ] - [ 0.0000010800000000, -0.0004292200000000, 0.0000213200000000 ] - [ 0.0021054100000000, -0.0011630900000000, -0.0018128800000000 ] - [ 0.0020907400000000, 0.0011543800000000, 0.0018333100000000 ] - [ -0.0023476800000000, -0.0000048200000000, 0.0000189400000000 ] - [ -0.0000445500000000, 0.0000209600000000, 0.0001320600000000 ] - [ 0.0000893800000000, 0.0000000700000000, 0.0000163400000000 ] - [ -0.0000441000000000, -0.0000206600000000, -0.0001001900000000 ] - [ -0.0000082900000000, -0.0000001900000000, 0.0000157600000000 ] - [ 0.0000031200000000, 0.0000495200000000, 0.0000016600000000 ] - [ 0.0000034200000000, -0.0000499700000000, 0.0000308200000000 ] - [ 0.0000391900000000, -0.0000273300000000, 0.0001566900000000 ] - [ 0.0000389800000000, 0.0000273100000000, -0.0001240600000000 ] - [ -0.0000805200000000, 0.0000003100000000, 0.0000161300000000 ] - [ -0.0016023200000000, -0.0000112000000000, 0.0000032100000000 ] - [ 0.0003313600000000, 0.0004571500000000, 0.0004146300000000 ] - [ 0.0003337300000000, -0.0004558000000000, -0.0003794100000000 ] - [ 0.0002286000000000, -0.0003860700000000, 0.0001322400000000 ] - [ 0.0002272400000000, 0.0003832900000000, -0.0000980900000000 ] - [ -0.0004582600000000, 0.0000005800000000, 0.0000172400000000 ] - [ 0.0018069800000000, -0.0019744900000000, 0.0046134000000000 ] - [ 0.0008940800000000, -0.0000005600000000, 0.0000185700000000 ] - [ 0.0018128400000000, 0.0019655400000000, -0.0045625600000000 ] - [ -0.0001389400000000, 0.0000000400000000, 0.0000163500000000 ] - [ 0.0000685800000000, 0.0000458300000000, -0.0000456900000000 ] - [ 0.0000688300000000, -0.0000459300000000, 0.0000781200000000 ] - [ 0.0000055000000000, -0.0000709500000000, 0.0000001400000000 ] - [ 0.0000053600000000, 0.0000698900000000, 0.0000320800000000 ] - [ -0.0000106700000000, -0.0000003500000000, 0.0000162100000000 ] - [ -0.0000637200000000, -0.0000432100000000, -0.0000643000000000 ] - [ 0.0001275100000000, 0.0000002200000000, 0.0000159500000000 ] - [ -0.0000635200000000, 0.0000438600000000, 0.0000965900000000 ] - [ 0.0070988100000000, -0.0000111200000000, -0.0000061700000000 ] - [ -0.0019514200000000, -0.0021545400000000, 0.0003714900000000 ] - [ -0.0019538200000000, 0.0021413500000000, -0.0003689300000000 ] - [ -0.0008859000000000, 0.0015978500000000, -0.0000324300000000 ] - [ -0.0008804400000000, -0.0015828000000000, 0.0000303300000000 ] - [ 0.0017675500000000, -0.0000008900000000, -0.0000017000000000 ] - [ 0.0192191700000000, -0.0070492600000000, -0.0036975600000000 ] - [ -0.0036373800000000, 0.0000006700000000, -0.0000013400000000 ] - [ 0.0183362300000000, 0.0064397200000000, 0.0033186700000000 ] - [ 0.0000781000000000, -0.0000004100000000, 0.0000022100000000 ] - [ -0.0000388900000000, -0.0000463800000000, 0.0000132300000000 ] - [ -0.0000392900000000, 0.0000458400000000, -0.0000095700000000 ] - [ -0.0000206100000000, 0.0000589500000000, -0.0000230900000000 ] - [ -0.0000197100000000, -0.0000590900000000, 0.0000267900000000 ] - [ 0.0000410900000000, -0.0000000300000000, 0.0000016300000000 ] - [ 0.0000613200000000, 0.0000093400000000, -0.0000133700000000 ] - [ -0.0001223800000000, 0.0000003800000000, 0.0000018700000000 ] - [ 0.0000615200000000, -0.0000100100000000, 0.0000169300000000 ] - [ 0.0004037200000000, -0.0012316800000000, -0.0012351000000000 ] - [ -0.0008564100000000, -0.0000000100000000, 0.0000000800000000 ] - [ 0.0003955300000000, 0.0012271500000000, 0.0012401600000000 ] - [ -0.0001826700000000, 0.0000053700000000, 0.0000038100000000 ] - [ 0.0000722400000000, -0.0005350000000000, -0.0000739800000000 ] - [ 0.0000701900000000, 0.0005357900000000, 0.0000756100000000 ] - [ -0.0013649500000000, 0.0006829900000000, -0.0008842700000000 ] - [ -0.0013653900000000, -0.0006824400000000, 0.0008857800000000 ] - [ 0.0025292500000000, -0.0000009500000000, 0.0000023900000000 ] - [ 0.0002833400000000, 0.0000019600000000, 0.0009894700000000 ] - [ -0.0005173200000000, -0.0000003400000000, 0.0000015900000000 ] - [ 0.0002833600000000, -0.0000037000000000, -0.0009890100000000 ] - [ 0.0002136800000000, 0.0000011700000000, -0.0000009400000000 ] - [ -0.0001072700000000, -0.0002356400000000, 0.0000271000000000 ] - [ -0.0001081500000000, 0.0002375900000000, -0.0000245200000000 ] - [ -0.0001186200000000, 0.0001915800000000, 0.0007044800000000 ] - [ -0.0001186700000000, -0.0001918200000000, -0.0006971600000000 ] - [ 0.0002786100000000, -0.0000002800000000, 0.0000027000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001780000000000 ] - [ 0.0000281100000000, 0.0000235700000000, -0.0001513300000000 ] - [ -0.0000281100000000, 0.0000235700000000, -0.0001513300000000 ] - [ -0.0000344700000000, 0.0000125600000000, -0.0001513300000000 ] - [ 0.0000344700000000, 0.0000125600000000, -0.0001513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159400000000 ] - [ -0.0000063600000000, -0.0000361300000000, -0.0001513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001775800000000 ] - [ 0.0000063600000000, -0.0000361300000000, -0.0001513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004987100000000 ] - [ 0.0002649000000000, -0.0001573700000000, -0.0001367800000000 ] - [ -0.0002649000000000, -0.0001573700000000, -0.0001367800000000 ] - [ 0.0000038400000000, 0.0003080900000000, -0.0001367800000000 ] - [ -0.0000038400000000, 0.0003080900000000, -0.0001367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594500000000 ] - [ 0.0002687300000000, -0.0001507200000000, -0.0001367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000852100000000 ] - [ -0.0002687300000000, -0.0001507200000000, -0.0001367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4693494600000000 ] - [ -0.0004507800000000, -0.0001449000000000, 0.0002370600000000 ] - [ 0.0004507800000000, -0.0001449000000000, 0.0002370600000000 ] - [ 0.0003508700000000, -0.0003179300000000, 0.0002370600000000 ] - [ -0.0003508700000000, -0.0003179300000000, 0.0002370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001263200000000 ] - [ -0.0000999000000000, 0.0004628300000000, 0.0002370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828600000000 ] - [ 0.0000999000000000, 0.0004628300000000, 0.0002370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001633900000000 ] - [ 0.0000153000000000, 0.0000036900000000, -0.0001535700000000 ] - [ -0.0000153000000000, 0.0000036900000000, -0.0001535700000000 ] - [ -0.0000108400000000, 0.0000114100000000, -0.0001535700000000 ] - [ 0.0000108400000000, 0.0000114100000000, -0.0001535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509700000000 ] - [ 0.0000044600000000, -0.0000150900000000, -0.0001535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001457300000000 ] - [ -0.0000044600000000, -0.0000150900000000, -0.0001535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5001111900000000 ] - [ -0.0002554900000000, -0.0004674500000000, -0.0013489200000000 ] - [ 0.0002554900000000, -0.0004674500000000, -0.0013489200000000 ] - [ 0.0005325700000000, 0.0000124700000000, -0.0013489200000000 ] - [ -0.0005325700000000, 0.0000124700000000, -0.0013489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005879400000000 ] - [ 0.0002770800000000, 0.0004549800000000, -0.0013489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005891900000000 ] - [ -0.0002770800000000, 0.0004549800000000, -0.0013489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004550200000000 ] - [ -0.0000005800000000, 0.0000030400000000, 0.0004230100000000 ] - [ 0.0000005800000000, 0.0000030400000000, 0.0004230100000000 ] - [ -0.0000023500000000, -0.0000020200000000, 0.0004230100000000 ] - [ 0.0000023500000000, -0.0000020200000000, 0.0004230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004068200000000 ] - [ -0.0000029200000000, -0.0000010200000000, 0.0004230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004063800000000 ] - [ 0.0000029200000000, -0.0000010200000000, 0.0004230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007864000000000 ] - [ 0.0004269600000000, 0.0001095900000000, 0.0004315400000000 ] - [ -0.0004269600000000, 0.0001095900000000, 0.0004315400000000 ] - [ -0.0003083800000000, 0.0003149700000000, 0.0004315400000000 ] - [ 0.0003083800000000, 0.0003149700000000, 0.0004315400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001725600000000 ] - [ 0.0001185800000000, -0.0004245500000000, 0.0004315400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002303200000000 ] - [ -0.0001185800000000, -0.0004245500000000, 0.0004315400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007846800000000 ] - [ -0.0003734900000000, 0.0001976200000000, 0.0004322400000000 ] - [ 0.0003734900000000, 0.0001976200000000, 0.0004322400000000 ] - [ 0.0000156000000000, -0.0004222600000000, 0.0004322400000000 ] - [ -0.0000156000000000, -0.0004222600000000, 0.0004322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728200000000 ] - [ -0.0003578900000000, 0.0002246400000000, 0.0004322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290800000000 ] - [ 0.0003578900000000, 0.0002246400000000, 0.0004322400000000 ] - [ -0.0023721700000000, -0.0013695700000000, 0.0018352400000000 ] - [ 0.0000000000000000, 0.0000037400000000, -0.0002350800000000 ] - [ 0.0023721700000000, -0.0013695700000000, 0.0018352400000000 ] - [ 0.0000000000000000, -0.0003092000000000, -0.0000247700000000 ] - [ 0.0000032400000000, -0.0000018700000000, -0.0002350800000000 ] - [ -0.0000032400000000, -0.0000018700000000, -0.0002350800000000 ] - [ -0.0002677800000000, 0.0001546000000000, -0.0000247700000000 ] - [ 0.0002677800000000, 0.0001546000000000, -0.0000247700000000 ] - [ 0.0000000000000000, 0.0027391500000000, 0.0018352400000000 ] - [ 0.0000394300000000, 0.0000227600000000, 0.0004894300000000 ] - [ 0.0000000000000000, 0.0000359000000000, 0.0003412300000000 ] - [ -0.0000394300000000, 0.0000227600000000, 0.0004894300000000 ] - [ 0.0000000000000000, 0.0000100700000000, 0.0004236900000000 ] - [ 0.0000310900000000, -0.0000179500000000, 0.0003412300000000 ] - [ -0.0000310900000000, -0.0000179500000000, 0.0003412300000000 ] - [ 0.0000087200000000, -0.0000050300000000, 0.0004236900000000 ] - [ -0.0000087200000000, -0.0000050300000000, 0.0004236900000000 ] - [ 0.0000000000000000, -0.0000455300000000, 0.0004894300000000 ] - [ 0.0000000000000000, 0.0038206400000000, 0.0022258000000000 ] - [ 0.0003045800000000, 0.0001758500000000, -0.0004365200000000 ] - [ -0.0003045800000000, 0.0001758500000000, -0.0004365200000000 ] - [ -0.0000550800000000, -0.0000318000000000, -0.0004474700000000 ] - [ 0.0000550800000000, -0.0000318000000000, -0.0004474700000000 ] - [ 0.0000000000000000, -0.0003516900000000, -0.0004365200000000 ] - [ 0.0033087700000000, -0.0019103200000000, 0.0022258000000000 ] - [ 0.0000000000000000, 0.0000636000000000, -0.0004474700000000 ] - [ -0.0033087700000000, -0.0019103200000000, 0.0022258000000000 ] - [ 0.0000000000000000, -0.0000725600000000, 0.0004660000000000 ] - [ -0.0000543300000000, -0.0000313700000000, 0.0004064200000000 ] - [ 0.0000543300000000, -0.0000313700000000, 0.0004064200000000 ] - [ -0.0000067600000000, -0.0000039000000000, 0.0003801400000000 ] - [ 0.0000067600000000, -0.0000039000000000, 0.0003801400000000 ] - [ 0.0000000000000000, 0.0000627400000000, 0.0004064200000000 ] - [ -0.0000628400000000, 0.0000362800000000, 0.0004660000000000 ] - [ 0.0000000000000000, 0.0000078000000000, 0.0003801400000000 ] - [ 0.0000628400000000, 0.0000362800000000, 0.0004660000000000 ] - [ 0.0000000000000000, -0.0084183700000000, 0.0084675000000000 ] - [ 0.0004340100000000, 0.0002505700000000, 0.0016021600000000 ] - [ -0.0004340100000000, 0.0002505700000000, 0.0016021600000000 ] - [ 0.0000397200000000, 0.0000229300000000, 0.0010809400000000 ] - [ -0.0000397200000000, 0.0000229300000000, 0.0010809400000000 ] - [ 0.0000000000000000, -0.0005011500000000, 0.0016021600000000 ] - [ -0.0072905300000000, 0.0042091900000000, 0.0084675000000000 ] - [ 0.0000000000000000, -0.0000458700000000, 0.0010809400000000 ] - [ 0.0072905300000000, 0.0042091900000000, 0.0084675000000000 ] - [ 0.0000000000000000, -0.0000219300000000, -0.0007412600000000 ] - [ -0.0000439000000000, -0.0000253500000000, -0.0006625500000000 ] - [ 0.0000439000000000, -0.0000253500000000, -0.0006625500000000 ] - [ 0.0000248700000000, 0.0000143600000000, -0.0006538800000000 ] - [ -0.0000248700000000, 0.0000143600000000, -0.0006538800000000 ] - [ 0.0000000000000000, 0.0000506900000000, -0.0006625500000000 ] - [ -0.0000189900000000, 0.0000109600000000, -0.0007412600000000 ] - [ 0.0000000000000000, -0.0000287200000000, -0.0006538800000000 ] - [ 0.0000189900000000, 0.0000109600000000, -0.0007412600000000 ] - [ -0.0009799000000000, -0.0005657500000000, -0.0013305300000000 ] - [ 0.0000000000000000, -0.0001971600000000, -0.0000409700000000 ] - [ 0.0009799000000000, -0.0005657500000000, -0.0013305300000000 ] - [ 0.0000000000000000, -0.0010651200000000, -0.0006716000000000 ] - [ -0.0001707500000000, 0.0000985800000000, -0.0000409700000000 ] - [ 0.0001707500000000, 0.0000985800000000, -0.0000409700000000 ] - [ -0.0009224200000000, 0.0005325600000000, -0.0006716000000000 ] - [ 0.0009224200000000, 0.0005325600000000, -0.0006716000000000 ] - [ 0.0000000000000000, 0.0011314900000000, -0.0013305300000000 ] - [ 0.0001870800000000, 0.0001080100000000, -0.0012156000000000 ] - [ 0.0000000000000000, 0.0000875600000000, -0.0003977100000000 ] - [ -0.0001870800000000, 0.0001080100000000, -0.0012156000000000 ] - [ 0.0000000000000000, 0.0001868200000000, -0.0004402700000000 ] - [ 0.0000758300000000, -0.0000437800000000, -0.0003977100000000 ] - [ -0.0000758300000000, -0.0000437800000000, -0.0003977100000000 ] - [ 0.0001617900000000, -0.0000934100000000, -0.0004402700000000 ] - [ -0.0001617900000000, -0.0000934100000000, -0.0004402700000000 ] - [ 0.0000000000000000, -0.0002160200000000, -0.0012156000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000492400000000 ] - [ -0.0000281600000000, -0.0000235400000000, 0.0000240200000000 ] - [ 0.0000281600000000, -0.0000235400000000, 0.0000240200000000 ] - [ 0.0000344600000000, -0.0000126200000000, 0.0000240200000000 ] - [ -0.0000344600000000, -0.0000126200000000, 0.0000240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119400000000 ] - [ 0.0000063000000000, 0.0000361500000000, 0.0000240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477100000000 ] - [ -0.0000063000000000, 0.0000361500000000, 0.0000240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726000000000 ] - [ -0.0002650800000000, 0.0001584900000000, 0.0000080400000000 ] - [ 0.0002650800000000, 0.0001584900000000, 0.0000080400000000 ] - [ -0.0000047100000000, -0.0003088100000000, 0.0000080400000000 ] - [ 0.0000047100000000, -0.0003088100000000, 0.0000080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681400000000 ] - [ -0.0002697900000000, 0.0001503200000000, 0.0000080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400800000000 ] - [ 0.0002697900000000, 0.0001503200000000, 0.0000080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4355667800000000 ] - [ 0.0004489100000000, 0.0001437000000000, -0.0003633500000000 ] - [ -0.0004489100000000, 0.0001437000000000, -0.0003633500000000 ] - [ -0.0003489000000000, 0.0003169100000000, -0.0003633500000000 ] - [ 0.0003489000000000, 0.0003169100000000, -0.0003633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002543100000000 ] - [ 0.0001000100000000, -0.0004606100000000, -0.0003633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101300000000 ] - [ -0.0001000100000000, -0.0004606100000000, -0.0003633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000352400000000 ] - [ -0.0000153300000000, -0.0000036600000000, 0.0000255100000000 ] - [ 0.0000153300000000, -0.0000036600000000, 0.0000255100000000 ] - [ 0.0000108300000000, -0.0000114500000000, 0.0000255100000000 ] - [ -0.0000108300000000, -0.0000114500000000, 0.0000255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000227000000000 ] - [ -0.0000045000000000, 0.0000151100000000, 0.0000255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185800000000 ] - [ 0.0000045000000000, 0.0000151100000000, 0.0000255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4659521100000000 ] - [ 0.0002517000000000, 0.0004665200000000, 0.0014335400000000 ] - [ -0.0002517000000000, 0.0004665200000000, 0.0014335400000000 ] - [ -0.0005298700000000, -0.0000152800000000, 0.0014335400000000 ] - [ 0.0005298700000000, -0.0000152800000000, 0.0014335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006772600000000 ] - [ -0.0002781700000000, -0.0004512400000000, 0.0014335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006765400000000 ] - [ 0.0002781700000000, -0.0004512400000000, 0.0014335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003635000000000 ] - [ 0.0000007000000000, -0.0000031000000000, -0.0003317400000000 ] - [ -0.0000007000000000, -0.0000031000000000, -0.0003317400000000 ] - [ 0.0000023300000000, 0.0000021600000000, -0.0003317400000000 ] - [ -0.0000023300000000, 0.0000021600000000, -0.0003317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003154500000000 ] - [ 0.0000030400000000, 0.0000009400000000, -0.0003317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162700000000 ] - [ -0.0000030400000000, 0.0000009400000000, -0.0003317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006923000000000 ] - [ -0.0004254000000000, -0.0001096300000000, -0.0003415300000000 ] - [ 0.0004254000000000, -0.0001096300000000, -0.0003415300000000 ] - [ 0.0003076500000000, -0.0003135900000000, -0.0003415300000000 ] - [ -0.0003076500000000, -0.0003135900000000, -0.0003415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000821900000000 ] - [ -0.0001177600000000, 0.0004232300000000, -0.0003415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001378500000000 ] - [ 0.0001177600000000, 0.0004232300000000, -0.0003415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006941800000000 ] - [ 0.0003738500000000, -0.0001991200000000, -0.0003405900000000 ] - [ -0.0003738500000000, -0.0001991200000000, -0.0003405900000000 ] - [ -0.0000144800000000, 0.0004233200000000, -0.0003405900000000 ] - [ 0.0000144800000000, 0.0004233200000000, -0.0003405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000826600000000 ] - [ 0.0003593700000000, -0.0002242000000000, -0.0003405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396100000000 ] - [ -0.0003593700000000, -0.0002242000000000, -0.0003405900000000 ] - [ 0.0023944100000000, 0.0013824200000000, -0.0018154600000000 ] - [ 0.0000000000000000, -0.0000044400000000, 0.0002713200000000 ] - [ -0.0023944100000000, 0.0013824200000000, -0.0018154600000000 ] - [ 0.0000000000000000, 0.0003018100000000, 0.0000679000000000 ] - [ -0.0000038500000000, 0.0000022200000000, 0.0002713200000000 ] - [ 0.0000038500000000, 0.0000022200000000, 0.0002713200000000 ] - [ 0.0002613800000000, -0.0001509100000000, 0.0000679000000000 ] - [ -0.0002613800000000, -0.0001509100000000, 0.0000679000000000 ] - [ 0.0000000000000000, -0.0027648300000000, -0.0018154600000000 ] - [ -0.0000390900000000, -0.0000225700000000, -0.0004522400000000 ] - [ 0.0000000000000000, -0.0000358600000000, -0.0003046900000000 ] - [ 0.0000390900000000, -0.0000225700000000, -0.0004522400000000 ] - [ 0.0000000000000000, -0.0000101400000000, -0.0003868600000000 ] - [ -0.0000310500000000, 0.0000179300000000, -0.0003046900000000 ] - [ 0.0000310500000000, 0.0000179300000000, -0.0003046900000000 ] - [ -0.0000087800000000, 0.0000050700000000, -0.0003868600000000 ] - [ 0.0000087800000000, 0.0000050700000000, -0.0003868600000000 ] - [ 0.0000000000000000, 0.0000451400000000, -0.0004522400000000 ] - [ 0.0000000000000000, -0.0038137600000000, -0.0021870400000000 ] - [ -0.0003033900000000, -0.0001751700000000, 0.0004709100000000 ] - [ 0.0003033900000000, -0.0001751700000000, 0.0004709100000000 ] - [ 0.0000549900000000, 0.0000317500000000, 0.0004813200000000 ] - [ -0.0000549900000000, 0.0000317500000000, 0.0004813200000000 ] - [ 0.0000000000000000, 0.0003503300000000, 0.0004709100000000 ] - [ -0.0033028200000000, 0.0019068800000000, -0.0021870400000000 ] - [ 0.0000000000000000, -0.0000635000000000, 0.0004813200000000 ] - [ 0.0033028200000000, 0.0019068800000000, -0.0021870400000000 ] - [ 0.0000000000000000, 0.0000728500000000, -0.0004291900000000 ] - [ 0.0000543300000000, 0.0000313700000000, -0.0003697400000000 ] - [ -0.0000543300000000, 0.0000313700000000, -0.0003697400000000 ] - [ 0.0000071100000000, 0.0000041100000000, -0.0003431300000000 ] - [ -0.0000071100000000, 0.0000041100000000, -0.0003431300000000 ] - [ 0.0000000000000000, -0.0000627400000000, -0.0003697400000000 ] - [ 0.0000630900000000, -0.0000364200000000, -0.0004291900000000 ] - [ 0.0000000000000000, -0.0000082200000000, -0.0003431300000000 ] - [ -0.0000630900000000, -0.0000364200000000, -0.0004291900000000 ] - [ 0.0000000000000000, 0.0084252300000000, -0.0083534700000000 ] - [ -0.0004315200000000, -0.0002491400000000, -0.0015976900000000 ] - [ 0.0004315200000000, -0.0002491400000000, -0.0015976900000000 ] - [ -0.0000407400000000, -0.0000235200000000, -0.0010735000000000 ] - [ 0.0000407400000000, -0.0000235200000000, -0.0010735000000000 ] - [ 0.0000000000000000, 0.0004982700000000, -0.0015976900000000 ] - [ 0.0072964600000000, -0.0042126200000000, -0.0083534700000000 ] - [ 0.0000000000000000, 0.0000470400000000, -0.0010735000000000 ] - [ -0.0072964600000000, -0.0042126200000000, -0.0083534700000000 ] - [ 0.0000000000000000, 0.0000216800000000, 0.0007431000000000 ] - [ 0.0000437600000000, 0.0000252700000000, 0.0006645900000000 ] - [ -0.0000437600000000, 0.0000252700000000, 0.0006645900000000 ] - [ -0.0000249300000000, -0.0000143900000000, 0.0006558200000000 ] - [ 0.0000249300000000, -0.0000143900000000, 0.0006558200000000 ] - [ 0.0000000000000000, -0.0000505300000000, 0.0006645900000000 ] - [ 0.0000187800000000, -0.0000108400000000, 0.0007431000000000 ] - [ 0.0000000000000000, 0.0000287800000000, 0.0006558200000000 ] - [ -0.0000187800000000, -0.0000108400000000, 0.0007431000000000 ] - [ 0.0009740400000000, 0.0005623600000000, 0.0013264100000000 ] - [ 0.0000000000000000, 0.0001969700000000, 0.0000448300000000 ] - [ -0.0009740400000000, 0.0005623600000000, 0.0013264100000000 ] - [ 0.0000000000000000, 0.0010625000000000, 0.0006749400000000 ] - [ 0.0001705800000000, -0.0000984900000000, 0.0000448300000000 ] - [ -0.0001705800000000, -0.0000984900000000, 0.0000448300000000 ] - [ 0.0009201500000000, -0.0005312500000000, 0.0006749400000000 ] - [ -0.0009201500000000, -0.0005312500000000, 0.0006749400000000 ] - [ 0.0000000000000000, -0.0011247200000000, 0.0013264100000000 ] - [ -0.0001870300000000, -0.0001079800000000, 0.0012183100000000 ] - [ 0.0000000000000000, -0.0000867200000000, 0.0004000100000000 ] - [ 0.0001870300000000, -0.0001079800000000, 0.0012183100000000 ] - [ 0.0000000000000000, -0.0001878400000000, 0.0004401800000000 ] - [ -0.0000751000000000, 0.0000433600000000, 0.0004000100000000 ] - [ 0.0000751000000000, 0.0000433600000000, 0.0004000100000000 ] - [ -0.0001626800000000, 0.0000939200000000, 0.0004401800000000 ] - [ 0.0001626800000000, 0.0000939200000000, 0.0004401800000000 ] - [ 0.0000000000000000, 0.0002159600000000, 0.0012183100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002000000000, 0.0000074100000000, -0.0000641900000000 ] - [ 0.0000002300000000, -0.0000075900000000, -0.0000703200000000 ] - [ -0.0000002000000000, -0.0000000500000000, -0.0000675400000000 ] - [ 0.0000059700000000, -0.0000000800000000, -0.0000598000000000 ] - [ -0.0000128000000000, -0.0000000200000000, -0.0000660400000000 ] - [ 0.0000059500000000, -0.0000000500000000, -0.0000722600000000 ] - [ 0.0000058600000000, -0.0000000400000000, -0.0000688900000000 ] - [ -0.0000029700000000, -0.0000016700000000, -0.0000636300000000 ] - [ -0.0000029900000000, 0.0000016000000000, -0.0000704300000000 ] - [ -0.0011654200000000, -0.0013229000000000, -0.0006179600000000 ] - [ -0.0011535200000000, 0.0013247300000000, 0.0004865500000000 ] - [ -0.0004735200000000, 0.0000010200000000, -0.0000645800000000 ] - [ -0.0001996600000000, 0.0002237800000000, -0.0001299300000000 ] - [ 0.0011334600000000, 0.0000047200000000, -0.0000657200000000 ] - [ -0.0001995900000000, -0.0002254700000000, -0.0000046400000000 ] - [ 0.0001894200000000, -0.0000008000000000, -0.0000635900000000 ] - [ -0.0001015000000000, 0.0002144600000000, -0.0001023700000000 ] - [ -0.0001020100000000, -0.0002148200000000, -0.0000369500000000 ] - [ 0.0004441400000000, 0.0001835300000000, -0.0000612800000000 ] - [ 0.0004464800000000, -0.0001839000000000, -0.0000719800000000 ] - [ -0.0000337500000000, 0.0000000100000000, -0.0000692100000000 ] - [ -0.0001094700000000, 0.0000477600000000, 0.0000914600000000 ] - [ 0.0001271200000000, -0.0000021000000000, -0.0000685300000000 ] - [ -0.0001108900000000, -0.0000485800000000, -0.0002272700000000 ] - [ -0.0000267400000000, -0.0000002800000000, -0.0000665200000000 ] - [ 0.0000118100000000, 0.0000262700000000, -0.0000777200000000 ] - [ 0.0000118600000000, -0.0000263700000000, -0.0000522700000000 ] - [ 0.0000294500000000, -0.0000151400000000, -0.0000927800000000 ] - [ 0.0000298100000000, 0.0000149200000000, -0.0000406600000000 ] - [ -0.0000598200000000, -0.0000000300000000, -0.0000656900000000 ] - [ -0.0000271600000000, 0.0000170700000000, -0.0000728300000000 ] - [ 0.0000556700000000, 0.0000000800000000, -0.0000669200000000 ] - [ -0.0000267000000000, -0.0000169400000000, -0.0000593000000000 ] - [ 0.0000025200000000, -0.0000002400000000, -0.0000680200000000 ] - [ -0.0000008800000000, 0.0000341000000000, -0.0000583800000000 ] - [ -0.0000008000000000, -0.0000340300000000, -0.0000787100000000 ] - [ 0.0003238900000000, 0.0015352300000000, -0.0023235600000000 ] - [ 0.0003149300000000, -0.0015447200000000, 0.0024407400000000 ] - [ 0.0007426600000000, -0.0000013300000000, 0.0000540700000000 ] - [ 0.0020935700000000, -0.0011551500000000, -0.0002137700000000 ] - [ -0.0023478800000000, -0.0000031600000000, 0.0000448100000000 ] - [ 0.0021025400000000, 0.0011623000000000, 0.0003150100000000 ] - [ 0.0000910500000000, 0.0000078400000000, 0.0000496200000000 ] - [ 0.0000002800000000, -0.0004286700000000, 0.0000434300000000 ] - [ 0.0000004900000000, 0.0004283900000000, 0.0000506800000000 ] - [ -0.0000442400000000, 0.0000211100000000, 0.0000890200000000 ] - [ -0.0000446100000000, -0.0000205300000000, 0.0000110300000000 ] - [ 0.0000894200000000, 0.0000001000000000, 0.0000483000000000 ] - [ 0.0000393100000000, -0.0000274300000000, 0.0000588800000000 ] - [ -0.0000804700000000, -0.0000000500000000, 0.0000504000000000 ] - [ 0.0000387300000000, 0.0000273200000000, 0.0000390400000000 ] - [ -0.0000084100000000, 0.0000003200000000, 0.0000518700000000 ] - [ 0.0000034000000000, -0.0000497500000000, 0.0000202800000000 ] - [ 0.0000031300000000, 0.0000497400000000, 0.0000843900000000 ] - [ -0.0000633600000000, 0.0000431500000000, -0.0000134500000000 ] - [ -0.0000636300000000, -0.0000439500000000, 0.0001149200000000 ] - [ 0.0001280100000000, -0.0000003500000000, 0.0000512300000000 ] - [ 0.0000691400000000, -0.0000459400000000, -0.0000058600000000 ] - [ -0.0001388600000000, -0.0000000300000000, 0.0000490100000000 ] - [ 0.0000690500000000, 0.0000459800000000, 0.0001039500000000 ] - [ -0.0000105000000000, 0.0000000900000000, 0.0000524600000000 ] - [ 0.0000057000000000, -0.0000706800000000, 0.0000582000000000 ] - [ 0.0000057900000000, 0.0000704800000000, 0.0000425600000000 ] - [ 0.0018081600000000, 0.0019605500000000, 0.0033381900000000 ] - [ 0.0018121200000000, -0.0019795900000000, -0.0032740400000000 ] - [ 0.0008944500000000, -0.0000012000000000, 0.0000459800000000 ] - [ 0.0003335100000000, -0.0004554900000000, 0.0003547400000000 ] - [ -0.0016020400000000, -0.0000098900000000, 0.0000544500000000 ] - [ 0.0003320500000000, 0.0004575600000000, -0.0002545500000000 ] - [ -0.0004579600000000, 0.0000010600000000, 0.0000456100000000 ] - [ 0.0002279000000000, -0.0003852100000000, 0.0001096000000000 ] - [ 0.0002285800000000, 0.0003840800000000, -0.0000032800000000 ] - [ -0.0208785100000000, -0.0000985800000000, -0.0001631400000000 ] - [ 0.0021942600000000, -0.0000386000000000, 0.0000625400000000 ] - [ 0.0021714200000000, 0.0000384200000000, -0.0000302000000000 ] - [ 0.0001358100000000, -0.0012195400000000, 0.0001321800000000 ] - [ 0.0001335600000000, 0.0012225200000000, -0.0001020000000000 ] - [ 0.0002757000000000, 0.0000012200000000, 0.0000153600000000 ] - [ 0.0001325800000000, -0.0011449200000000, 0.0001793900000000 ] - [ 0.0002757400000000, -0.0000007500000000, 0.0000158200000000 ] - [ 0.0001366600000000, 0.0011429100000000, -0.0001474100000000 ] - [ -0.0000276000000000, -0.0000000100000000, 0.0000161500000000 ] - [ 0.0000135700000000, 0.0000001400000000, 0.0000310900000000 ] - [ 0.0000136900000000, -0.0000001800000000, 0.0000009000000000 ] - [ -0.0000068100000000, -0.0000117900000000, 0.0000007100000000 ] - [ -0.0000069100000000, 0.0000115500000000, 0.0000314900000000 ] - [ 0.0000133100000000, -0.0000001300000000, 0.0000160400000000 ] - [ -0.0000068500000000, -0.0000120400000000, 0.0000158100000000 ] - [ 0.0000133100000000, -0.0000001100000000, 0.0000159600000000 ] - [ -0.0000069300000000, 0.0000120200000000, 0.0000161700000000 ] - [ -0.0001375500000000, -0.0000700000000000, -0.0007084100000000 ] - [ -0.0001385700000000, 0.0000690700000000, 0.0007442700000000 ] - [ 0.0002212900000000, -0.0000001700000000, 0.0000166700000000 ] - [ 0.0000161400000000, -0.0001180300000000, -0.0000511500000000 ] - [ -0.0000340600000000, -0.0000002400000000, 0.0000156300000000 ] - [ 0.0000163600000000, 0.0001187200000000, 0.0000826700000000 ] - [ -0.0002584700000000, -0.0000003700000000, 0.0000138400000000 ] - [ 0.0001562800000000, -0.0001103700000000, 0.0002237600000000 ] - [ 0.0001566700000000, 0.0001096400000000, -0.0001916600000000 ] - [ -0.0001364400000000, -0.0000700200000000, 0.0001701400000000 ] - [ -0.0001395400000000, 0.0000690500000000, -0.0001372100000000 ] - [ 0.0002211500000000, 0.0000000200000000, 0.0000155300000000 ] - [ 0.0000164100000000, -0.0001185000000000, -0.0000169100000000 ] - [ -0.0000339900000000, -0.0000007300000000, 0.0000160300000000 ] - [ 0.0000160200000000, 0.0001181100000000, 0.0000485300000000 ] - [ -0.0002584400000000, 0.0000012500000000, 0.0000167400000000 ] - [ 0.0001563600000000, -0.0001103100000000, -0.0001775300000000 ] - [ 0.0001565700000000, 0.0001096700000000, 0.0002085300000000 ] - [ 0.0049084100000000, -0.0009619300000000, -0.0032621700000000 ] - [ 0.0050818900000000, 0.0010866800000000, 0.0034636700000000 ] - [ -0.0020205400000000, -0.0000018300000000, -0.0000015000000000 ] - [ -0.0002787300000000, 0.0010017500000000, -0.0000987300000000 ] - [ 0.0005724000000000, 0.0000008600000000, 0.0000016400000000 ] - [ -0.0002806900000000, -0.0010083300000000, 0.0001016400000000 ] - [ 0.0032214500000000, 0.0000059800000000, -0.0000061100000000 ] - [ -0.0011283300000000, 0.0009855000000000, -0.0004526800000000 ] - [ -0.0011317400000000, -0.0009806000000000, 0.0004522800000000 ] - [ 0.0000222200000000, 0.0000188800000000, -0.0000728200000000 ] - [ 0.0000226300000000, -0.0000195400000000, 0.0000740600000000 ] - [ -0.0000449100000000, -0.0000005900000000, 0.0000011300000000 ] - [ 0.0000057800000000, 0.0000288600000000, 0.0000112500000000 ] - [ -0.0000111000000000, -0.0000002400000000, 0.0000005500000000 ] - [ 0.0000059300000000, -0.0000296100000000, -0.0000097200000000 ] - [ 0.0000557500000000, -0.0000002400000000, 0.0000006300000000 ] - [ -0.0000264800000000, 0.0000089000000000, 0.0000870400000000 ] - [ -0.0000270300000000, -0.0000092400000000, -0.0000852500000000 ] - [ 0.0004231600000000, 0.0000011500000000, 0.0000003600000000 ] - [ -0.0002114300000000, 0.0000365000000000, -0.0001871600000000 ] - [ -0.0002113300000000, -0.0000352700000000, 0.0001876000000000 ] - [ 0.0000643100000000, 0.0002021800000000, 0.0001440100000000 ] - [ 0.0000645300000000, -0.0002030900000000, -0.0001432100000000 ] - [ -0.0001304400000000, -0.0000005100000000, 0.0000004100000000 ] - [ 0.0000713200000000, 0.0001194400000000, -0.0000430400000000 ] - [ -0.0001448500000000, 0.0000003000000000, 0.0000006000000000 ] - [ 0.0000706700000000, -0.0001194900000000, 0.0000446300000000 ] - [ 0.0030552100000000, 0.0000003600000000, 0.0000053600000000 ] - [ -0.0010583200000000, -0.0002598500000000, 0.0009419300000000 ] - [ -0.0010609800000000, 0.0002589700000000, -0.0009337400000000 ] - [ 0.0001478900000000, 0.0004542800000000, -0.0004770700000000 ] - [ 0.0001532100000000, -0.0004517700000000, 0.0004790200000000 ] - [ -0.0003588200000000, -0.0000006500000000, 0.0000020500000000 ] - [ 0.0001635200000000, 0.0009507500000000, 0.0004599000000000 ] - [ -0.0003034300000000, 0.0000016500000000, 0.0000014000000000 ] - [ 0.0001611900000000, -0.0009516700000000, -0.0004594000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000090700000000, -0.0000052300000000, -0.0001669400000000 ] - [ 0.0000090700000000, -0.0000052300000000, -0.0001669400000000 ] - [ 0.0000000000000000, -0.0000012600000000, -0.0001570100000000 ] - [ -0.0000084200000000, 0.0000048600000000, -0.0001578900000000 ] - [ 0.0000000000000000, 0.0000104700000000, -0.0001669400000000 ] - [ 0.0000084200000000, 0.0000048600000000, -0.0001578900000000 ] - [ 0.0000000000000000, -0.0000097300000000, -0.0001578900000000 ] - [ 0.0000010900000000, 0.0000006300000000, -0.0001570100000000 ] - [ -0.0000010900000000, 0.0000006300000000, -0.0001570100000000 ] - [ -0.0016261500000000, -0.0009388600000000, 0.0009977000000000 ] - [ 0.0016261500000000, -0.0009388600000000, 0.0009977000000000 ] - [ 0.0000000000000000, 0.0000171300000000, 0.0000924200000000 ] - [ -0.0000766500000000, 0.0000442600000000, 0.0001218300000000 ] - [ 0.0000000000000000, 0.0018777200000000, 0.0009977000000000 ] - [ 0.0000766500000000, 0.0000442600000000, 0.0001218300000000 ] - [ 0.0000000000000000, -0.0000885100000000, 0.0001218300000000 ] - [ -0.0000148400000000, -0.0000085700000000, 0.0000924200000000 ] - [ 0.0000148400000000, -0.0000085700000000, 0.0000924200000000 ] - [ -0.0003354900000000, -0.0001936900000000, -0.0002687300000000 ] - [ 0.0003354900000000, -0.0001936900000000, -0.0002687300000000 ] - [ 0.0000000000000000, 0.0000147800000000, -0.0000717000000000 ] - [ 0.0000582500000000, -0.0000336300000000, -0.0002027500000000 ] - [ 0.0000000000000000, 0.0003873900000000, -0.0002687300000000 ] - [ -0.0000582500000000, -0.0000336300000000, -0.0002027500000000 ] - [ 0.0000000000000000, 0.0000672700000000, -0.0002027500000000 ] - [ -0.0000128000000000, -0.0000073900000000, -0.0000717000000000 ] - [ 0.0000128000000000, -0.0000073900000000, -0.0000717000000000 ] - [ -0.0000877400000000, -0.0000506600000000, -0.0001951300000000 ] - [ 0.0000877400000000, -0.0000506600000000, -0.0001951300000000 ] - [ 0.0000000000000000, 0.0000179600000000, -0.0001292900000000 ] - [ -0.0001114000000000, 0.0000643200000000, -0.0001584200000000 ] - [ 0.0000000000000000, 0.0001013100000000, -0.0001951300000000 ] - [ 0.0001114000000000, 0.0000643200000000, -0.0001584200000000 ] - [ 0.0000000000000000, -0.0001286400000000, -0.0001584200000000 ] - [ -0.0000155600000000, -0.0000089800000000, -0.0001292900000000 ] - [ 0.0000155600000000, -0.0000089800000000, -0.0001292900000000 ] - [ -0.0027207400000000, -0.0015708200000000, 0.0018795300000000 ] - [ 0.0027207400000000, -0.0015708200000000, 0.0018795300000000 ] - [ 0.0000000000000000, -0.0000051000000000, -0.0002052100000000 ] - [ -0.0018259800000000, 0.0010542300000000, 0.0000022300000000 ] - [ 0.0000000000000000, 0.0031416400000000, 0.0018795300000000 ] - [ 0.0018259800000000, 0.0010542300000000, 0.0000022300000000 ] - [ 0.0000000000000000, -0.0021084600000000, 0.0000022300000000 ] - [ 0.0000044200000000, 0.0000025500000000, -0.0002052100000000 ] - [ -0.0000044200000000, 0.0000025500000000, -0.0002052100000000 ] - [ 0.0001155000000000, 0.0000666900000000, 0.0005177600000000 ] - [ -0.0001155000000000, 0.0000666900000000, 0.0005177600000000 ] - [ 0.0000000000000000, -0.0000167800000000, 0.0003707400000000 ] - [ 0.0001395900000000, -0.0000805900000000, 0.0004549500000000 ] - [ 0.0000000000000000, -0.0001333700000000, 0.0005177600000000 ] - [ -0.0001395900000000, -0.0000805900000000, 0.0004549500000000 ] - [ 0.0000000000000000, 0.0001611800000000, 0.0004549500000000 ] - [ 0.0000145400000000, 0.0000083900000000, 0.0003707400000000 ] - [ -0.0000145400000000, 0.0000083900000000, 0.0003707400000000 ] - [ -0.0000804400000000, -0.0000464400000000, 0.0004969400000000 ] - [ 0.0000804400000000, -0.0000464400000000, 0.0004969400000000 ] - [ 0.0000000000000000, -0.0000184400000000, 0.0004073700000000 ] - [ -0.0000618500000000, 0.0000357100000000, 0.0004392600000000 ] - [ 0.0000000000000000, 0.0000928900000000, 0.0004969400000000 ] - [ 0.0000618500000000, 0.0000357100000000, 0.0004392600000000 ] - [ 0.0000000000000000, -0.0000714200000000, 0.0004392600000000 ] - [ 0.0000159700000000, 0.0000092200000000, 0.0004073700000000 ] - [ -0.0000159700000000, 0.0000092200000000, 0.0004073700000000 ] - [ 0.0045655000000000, 0.0026358900000000, 0.0022483900000000 ] - [ -0.0045655000000000, 0.0026358900000000, 0.0022483900000000 ] - [ 0.0000000000000000, 0.0001331800000000, -0.0004107100000000 ] - [ 0.0003963800000000, -0.0002288500000000, -0.0004045500000000 ] - [ 0.0000000000000000, -0.0052717900000000, 0.0022483900000000 ] - [ -0.0003963800000000, -0.0002288500000000, -0.0004045500000000 ] - [ 0.0000000000000000, 0.0004577000000000, -0.0004045500000000 ] - [ -0.0001153300000000, -0.0000665900000000, -0.0004107100000000 ] - [ 0.0001153300000000, -0.0000665900000000, -0.0004107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0381712100000000 ] - [ -0.0000504000000000, -0.0001618200000000, -0.0012360100000000 ] - [ 0.0000504000000000, -0.0001618200000000, -0.0012360100000000 ] - [ 0.0001653400000000, 0.0000372600000000, -0.0012360100000000 ] - [ -0.0001653400000000, 0.0000372600000000, -0.0012360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006700600000000 ] - [ 0.0001149400000000, 0.0001245600000000, -0.0012360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006700000000000 ] - [ -0.0001149400000000, 0.0001245600000000, -0.0012360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004960100000000 ] - [ -0.0000149600000000, 0.0000089300000000, 0.0004364800000000 ] - [ 0.0000149600000000, 0.0000089300000000, 0.0004364800000000 ] - [ -0.0000002500000000, -0.0000174300000000, 0.0004364800000000 ] - [ 0.0000002500000000, -0.0000174300000000, 0.0004364800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004081000000000 ] - [ -0.0000152200000000, 0.0000084900000000, 0.0004364800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004079600000000 ] - [ 0.0000152200000000, 0.0000084900000000, 0.0004364800000000 ] - [ -0.0001538300000000, 0.0000888100000000, 0.0007586800000000 ] - [ 0.0001538300000000, 0.0000888100000000, 0.0007586800000000 ] - [ 0.0000000000000000, -0.0000378900000000, 0.0002074400000000 ] - [ 0.0000328100000000, 0.0000189400000000, 0.0002074400000000 ] - [ 0.0000000000000000, 0.0002230200000000, 0.0002781400000000 ] - [ -0.0000328100000000, 0.0000189400000000, 0.0002074400000000 ] - [ 0.0000000000000000, -0.0001776200000000, 0.0007586800000000 ] - [ 0.0001931400000000, -0.0001115100000000, 0.0002781400000000 ] - [ -0.0001931400000000, -0.0001115100000000, 0.0002781400000000 ] - [ 0.0007221600000000, -0.0004169400000000, 0.0007585200000000 ] - [ -0.0007221600000000, -0.0004169400000000, 0.0007585200000000 ] - [ 0.0000000000000000, -0.0000769700000000, 0.0002085500000000 ] - [ 0.0000666600000000, 0.0000384900000000, 0.0002085500000000 ] - [ 0.0000000000000000, -0.0002392600000000, 0.0002787400000000 ] - [ -0.0000666600000000, 0.0000384900000000, 0.0002085500000000 ] - [ 0.0000000000000000, 0.0008338800000000, 0.0007585200000000 ] - [ -0.0002072000000000, 0.0001196300000000, 0.0002787400000000 ] - [ 0.0002072000000000, 0.0001196300000000, 0.0002787400000000 ] - [ -0.0015292200000000, 0.0008829000000000, 0.0064963400000000 ] - [ 0.0015292200000000, 0.0008829000000000, 0.0064963400000000 ] - [ 0.0000000000000000, 0.0003820200000000, 0.0008704300000000 ] - [ -0.0003308400000000, -0.0001910100000000, 0.0008704300000000 ] - [ 0.0000000000000000, -0.0009596600000000, 0.0009679000000000 ] - [ 0.0003308400000000, -0.0001910100000000, 0.0008704300000000 ] - [ 0.0000000000000000, -0.0017657900000000, 0.0064963400000000 ] - [ -0.0008310900000000, 0.0004798300000000, 0.0009679000000000 ] - [ 0.0008310900000000, 0.0004798300000000, 0.0009679000000000 ] - [ -0.0000482500000000, 0.0000278600000000, -0.0009215100000000 ] - [ 0.0000482500000000, 0.0000278600000000, -0.0009215100000000 ] - [ 0.0000000000000000, -0.0000263200000000, -0.0006035700000000 ] - [ 0.0000227900000000, 0.0000131600000000, -0.0006035700000000 ] - [ 0.0000000000000000, 0.0000832400000000, -0.0006474700000000 ] - [ -0.0000227900000000, 0.0000131600000000, -0.0006035700000000 ] - [ 0.0000000000000000, -0.0000557200000000, -0.0009215100000000 ] - [ 0.0000720900000000, -0.0000416200000000, -0.0006474700000000 ] - [ -0.0000720900000000, -0.0000416200000000, -0.0006474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010061100000000 ] - [ -0.0002100700000000, 0.0000568500000000, -0.0007235600000000 ] - [ 0.0002100700000000, 0.0000568500000000, -0.0007235600000000 ] - [ 0.0000558100000000, -0.0002103500000000, -0.0007235600000000 ] - [ -0.0000558100000000, -0.0002103500000000, -0.0007235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005850900000000 ] - [ -0.0001542700000000, 0.0001535000000000, -0.0007235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006074700000000 ] - [ 0.0001542700000000, 0.0001535000000000, -0.0007235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042549000000000 ] - [ 0.0014486700000000, 0.0003652500000000, 0.0003009800000000 ] - [ -0.0014486700000000, 0.0003652500000000, 0.0003009800000000 ] - [ -0.0010406500000000, 0.0010719600000000, 0.0003009800000000 ] - [ 0.0010406500000000, 0.0010719600000000, 0.0003009800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004933100000000 ] - [ 0.0004080200000000, -0.0014372100000000, 0.0003009800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005232900000000 ] - [ -0.0004080200000000, -0.0014372100000000, 0.0003009800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000090600000000, 0.0000052300000000, 0.0000332100000000 ] - [ -0.0000090600000000, 0.0000052300000000, 0.0000332100000000 ] - [ 0.0000000000000000, 0.0000013300000000, 0.0000266700000000 ] - [ 0.0000085000000000, -0.0000049100000000, 0.0000216700000000 ] - [ 0.0000000000000000, -0.0000104600000000, 0.0000332100000000 ] - [ -0.0000085000000000, -0.0000049100000000, 0.0000216700000000 ] - [ 0.0000000000000000, 0.0000098200000000, 0.0000216700000000 ] - [ -0.0000011500000000, -0.0000006600000000, 0.0000266700000000 ] - [ 0.0000011500000000, -0.0000006600000000, 0.0000266700000000 ] - [ 0.0016170900000000, 0.0009336300000000, -0.0011521500000000 ] - [ -0.0016170900000000, 0.0009336300000000, -0.0011521500000000 ] - [ 0.0000000000000000, -0.0000181300000000, -0.0002303200000000 ] - [ 0.0000759100000000, -0.0000438300000000, -0.0002543900000000 ] - [ 0.0000000000000000, -0.0018672600000000, -0.0011521500000000 ] - [ -0.0000759100000000, -0.0000438300000000, -0.0002543900000000 ] - [ 0.0000000000000000, 0.0000876500000000, -0.0002543900000000 ] - [ 0.0000157000000000, 0.0000090700000000, -0.0002303200000000 ] - [ -0.0000157000000000, 0.0000090700000000, -0.0002303200000000 ] - [ 0.0003336100000000, 0.0001926100000000, 0.0001353500000000 ] - [ -0.0003336100000000, 0.0001926100000000, 0.0001353500000000 ] - [ 0.0000000000000000, -0.0000146700000000, -0.0000610300000000 ] - [ -0.0000584800000000, 0.0000337600000000, 0.0000699900000000 ] - [ 0.0000000000000000, -0.0003852200000000, 0.0001353500000000 ] - [ 0.0000584800000000, 0.0000337600000000, 0.0000699900000000 ] - [ 0.0000000000000000, -0.0000675300000000, 0.0000699900000000 ] - [ 0.0000127000000000, 0.0000073300000000, -0.0000610300000000 ] - [ -0.0000127000000000, 0.0000073300000000, -0.0000610300000000 ] - [ 0.0000887400000000, 0.0000512300000000, 0.0000628900000000 ] - [ -0.0000887400000000, 0.0000512300000000, 0.0000628900000000 ] - [ 0.0000000000000000, -0.0000180900000000, -0.0000037700000000 ] - [ 0.0001125700000000, -0.0000649900000000, 0.0000237800000000 ] - [ 0.0000000000000000, -0.0001024700000000, 0.0000628900000000 ] - [ -0.0001125700000000, -0.0000649900000000, 0.0000237800000000 ] - [ 0.0000000000000000, 0.0001299900000000, 0.0000237800000000 ] - [ 0.0000156600000000, 0.0000090400000000, -0.0000037700000000 ] - [ -0.0000156600000000, 0.0000090400000000, -0.0000037700000000 ] - [ 0.0026983500000000, 0.0015578900000000, -0.0017700400000000 ] - [ -0.0026983500000000, 0.0015578900000000, -0.0017700400000000 ] - [ 0.0000000000000000, 0.0000051900000000, 0.0003019900000000 ] - [ 0.0018202200000000, -0.0010509000000000, 0.0000965200000000 ] - [ 0.0000000000000000, -0.0031157800000000, -0.0017700400000000 ] - [ -0.0018202200000000, -0.0010509000000000, 0.0000965200000000 ] - [ 0.0000000000000000, 0.0021018000000000, 0.0000965200000000 ] - [ -0.0000045000000000, -0.0000026000000000, 0.0003019900000000 ] - [ 0.0000045000000000, -0.0000026000000000, 0.0003019900000000 ] - [ -0.0001167900000000, -0.0000674300000000, -0.0004218500000000 ] - [ 0.0001167900000000, -0.0000674300000000, -0.0004218500000000 ] - [ 0.0000000000000000, 0.0000167600000000, -0.0002730200000000 ] - [ -0.0001410300000000, 0.0000814200000000, -0.0003548000000000 ] - [ 0.0000000000000000, 0.0001348600000000, -0.0004218500000000 ] - [ 0.0001410300000000, 0.0000814200000000, -0.0003548000000000 ] - [ 0.0000000000000000, -0.0001628400000000, -0.0003548000000000 ] - [ -0.0000145100000000, -0.0000083800000000, -0.0002730200000000 ] - [ 0.0000145100000000, -0.0000083800000000, -0.0002730200000000 ] - [ 0.0000805400000000, 0.0000465000000000, -0.0003985800000000 ] - [ -0.0000805400000000, 0.0000465000000000, -0.0003985800000000 ] - [ 0.0000000000000000, 0.0000184600000000, -0.0003147200000000 ] - [ 0.0000619500000000, -0.0000357700000000, -0.0003375300000000 ] - [ 0.0000000000000000, -0.0000930000000000, -0.0003985800000000 ] - [ -0.0000619500000000, -0.0000357700000000, -0.0003375300000000 ] - [ 0.0000000000000000, 0.0000715400000000, -0.0003375300000000 ] - [ -0.0000159900000000, -0.0000092300000000, -0.0003147200000000 ] - [ 0.0000159900000000, -0.0000092300000000, -0.0003147200000000 ] - [ -0.0046104500000000, -0.0026618400000000, -0.0021637500000000 ] - [ 0.0046104500000000, -0.0026618400000000, -0.0021637500000000 ] - [ 0.0000000000000000, -0.0001328900000000, 0.0005178000000000 ] - [ -0.0003973700000000, 0.0002294200000000, 0.0005042800000000 ] - [ 0.0000000000000000, 0.0053236900000000, -0.0021637500000000 ] - [ 0.0003973700000000, 0.0002294200000000, 0.0005042800000000 ] - [ 0.0000000000000000, -0.0004588400000000, 0.0005042800000000 ] - [ 0.0001150900000000, 0.0000664400000000, 0.0005178000000000 ] - [ -0.0001150900000000, 0.0000664400000000, 0.0005178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0383917100000000 ] - [ 0.0000422100000000, 0.0001620500000000, 0.0012704200000000 ] - [ -0.0000422100000000, 0.0001620500000000, 0.0012704200000000 ] - [ -0.0001614400000000, -0.0000444700000000, 0.0012704200000000 ] - [ 0.0001614400000000, -0.0000444700000000, 0.0012704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007033500000000 ] - [ -0.0001192300000000, -0.0001175800000000, 0.0012704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007036100000000 ] - [ 0.0001192300000000, -0.0001175800000000, 0.0012704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004655500000000 ] - [ 0.0000152300000000, -0.0000091300000000, -0.0004058800000000 ] - [ -0.0000152300000000, -0.0000091300000000, -0.0004058800000000 ] - [ 0.0000002900000000, 0.0000177500000000, -0.0004058800000000 ] - [ -0.0000002900000000, 0.0000177500000000, -0.0004058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770600000000 ] - [ 0.0000155200000000, -0.0000086200000000, -0.0004058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770600000000 ] - [ -0.0000155200000000, -0.0000086200000000, -0.0004058800000000 ] - [ 0.0001538300000000, -0.0000888100000000, -0.0007298000000000 ] - [ -0.0001538300000000, -0.0000888100000000, -0.0007298000000000 ] - [ 0.0000000000000000, 0.0000376500000000, -0.0001767600000000 ] - [ -0.0000326100000000, -0.0000188200000000, -0.0001767600000000 ] - [ 0.0000000000000000, -0.0002230700000000, -0.0002473300000000 ] - [ 0.0000326100000000, -0.0000188200000000, -0.0001767600000000 ] - [ 0.0000000000000000, 0.0001776200000000, -0.0007298000000000 ] - [ -0.0001931800000000, 0.0001115300000000, -0.0002473300000000 ] - [ 0.0001931800000000, 0.0001115300000000, -0.0002473300000000 ] - [ -0.0007303100000000, 0.0004216400000000, -0.0007297300000000 ] - [ 0.0007303100000000, 0.0004216400000000, -0.0007297300000000 ] - [ 0.0000000000000000, 0.0000772700000000, -0.0001755500000000 ] - [ -0.0000669100000000, -0.0000386300000000, -0.0001755500000000 ] - [ 0.0000000000000000, 0.0002405200000000, -0.0002466300000000 ] - [ 0.0000669100000000, -0.0000386300000000, -0.0001755500000000 ] - [ 0.0000000000000000, -0.0008432800000000, -0.0007297300000000 ] - [ 0.0002083000000000, -0.0001202600000000, -0.0002466300000000 ] - [ -0.0002083000000000, -0.0001202600000000, -0.0002466300000000 ] - [ 0.0013530900000000, -0.0007812100000000, -0.0063635700000000 ] - [ -0.0013530900000000, -0.0007812100000000, -0.0063635700000000 ] - [ 0.0000000000000000, -0.0003792000000000, -0.0008646700000000 ] - [ 0.0003284000000000, 0.0001896000000000, -0.0008646700000000 ] - [ 0.0000000000000000, 0.0009638800000000, -0.0009611400000000 ] - [ -0.0003284000000000, 0.0001896000000000, -0.0008646700000000 ] - [ 0.0000000000000000, 0.0015624200000000, -0.0063635700000000 ] - [ 0.0008347400000000, -0.0004819400000000, -0.0009611400000000 ] - [ -0.0008347400000000, -0.0004819400000000, -0.0009611400000000 ] - [ 0.0000486300000000, -0.0000280800000000, 0.0009286700000000 ] - [ -0.0000486300000000, -0.0000280800000000, 0.0009286700000000 ] - [ 0.0000000000000000, 0.0000263100000000, 0.0006073100000000 ] - [ -0.0000227900000000, -0.0000131600000000, 0.0006073100000000 ] - [ 0.0000000000000000, -0.0000843900000000, 0.0006515200000000 ] - [ 0.0000227900000000, -0.0000131600000000, 0.0006073100000000 ] - [ 0.0000000000000000, 0.0000561500000000, 0.0009286700000000 ] - [ -0.0000730800000000, 0.0000421900000000, 0.0006515200000000 ] - [ 0.0000730800000000, 0.0000421900000000, 0.0006515200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010104600000000 ] - [ 0.0002102500000000, -0.0000569200000000, 0.0007286100000000 ] - [ -0.0002102500000000, -0.0000569200000000, 0.0007286100000000 ] - [ -0.0000558300000000, 0.0002105400000000, 0.0007286100000000 ] - [ 0.0000558300000000, 0.0002105400000000, 0.0007286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005890200000000 ] - [ 0.0001544200000000, -0.0001536200000000, 0.0007286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006128400000000 ] - [ -0.0001544200000000, -0.0001536200000000, 0.0007286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047422400000000 ] - [ -0.0014553100000000, -0.0003661000000000, -0.0003063500000000 ] - [ 0.0014553100000000, -0.0003661000000000, -0.0003063500000000 ] - [ 0.0010447100000000, -0.0010772800000000, -0.0003063500000000 ] - [ -0.0010447100000000, -0.0010772800000000, -0.0003063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004946800000000 ] - [ -0.0004106000000000, 0.0014433900000000, -0.0003063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005268500000000 ] - [ 0.0004106000000000, 0.0014433900000000, -0.0003063500000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000300000000, -0.0000001100000000, -0.0000667100000000 ] - [ -0.0000002700000000, 0.0000199700000000, -0.0000756700000000 ] - [ -0.0000003000000000, -0.0000196800000000, -0.0000633000000000 ] - [ 0.0000320900000000, -0.0000186000000000, -0.0000852200000000 ] - [ 0.0000324500000000, 0.0000186300000000, -0.0000480300000000 ] - [ -0.0000383400000000, -0.0000001100000000, -0.0000676600000000 ] - [ -0.0000176200000000, 0.0000119500000000, -0.0000885300000000 ] - [ 0.0000340500000000, -0.0000000100000000, -0.0000687400000000 ] - [ -0.0000175900000000, -0.0000119900000000, -0.0000501600000000 ] - [ -0.0018891800000000, 0.0000007300000000, -0.0000662100000000 ] - [ 0.0010391900000000, -0.0005306200000000, -0.0003303200000000 ] - [ 0.0010432400000000, 0.0005320700000000, 0.0001955500000000 ] - [ -0.0001047800000000, -0.0010284600000000, 0.0005593700000000 ] - [ -0.0001087400000000, 0.0010297100000000, -0.0006973300000000 ] - [ 0.0004856900000000, -0.0000001300000000, -0.0000685800000000 ] - [ -0.0000401300000000, -0.0003025200000000, 0.0000104800000000 ] - [ 0.0001209000000000, -0.0000013200000000, -0.0000719000000000 ] - [ -0.0000395600000000, 0.0003043200000000, -0.0001451300000000 ] - [ -0.0010339900000000, 0.0000073200000000, -0.0000776800000000 ] - [ 0.0001859700000000, -0.0002613700000000, 0.0001943100000000 ] - [ 0.0001858400000000, 0.0002589700000000, -0.0003304000000000 ] - [ 0.0024556200000000, -0.0020063500000000, -0.0027402500000000 ] - [ 0.0024919000000000, 0.0020442600000000, 0.0026479200000000 ] - [ 0.0004504600000000, 0.0000002600000000, -0.0000698300000000 ] - [ 0.0001252500000000, -0.0001868400000000, -0.0000996300000000 ] - [ -0.0002647400000000, -0.0000000400000000, -0.0000662500000000 ] - [ 0.0001257300000000, 0.0001884000000000, -0.0000355300000000 ] - [ -0.0000466600000000, 0.0000000700000000, -0.0000670500000000 ] - [ 0.0000233400000000, -0.0000281400000000, -0.0000903300000000 ] - [ 0.0000233400000000, 0.0000281500000000, -0.0000447500000000 ] - [ -0.0000375200000000, -0.0000051800000000, -0.0000483000000000 ] - [ -0.0000376100000000, 0.0000052900000000, -0.0000876100000000 ] - [ 0.0000751100000000, 0.0000000400000000, -0.0000683500000000 ] - [ 0.0000127700000000, -0.0000360200000000, -0.0000717700000000 ] - [ -0.0000254500000000, 0.0000000100000000, -0.0000706900000000 ] - [ 0.0000126900000000, 0.0000360500000000, -0.0000666600000000 ] - [ 0.0070979800000000, 0.0000091500000000, 0.0000499300000000 ] - [ -0.0019552400000000, 0.0021581500000000, -0.0003817800000000 ] - [ -0.0019501400000000, -0.0021372900000000, 0.0004861700000000 ] - [ 0.0183126800000000, -0.0064418700000000, -0.0070595100000000 ] - [ 0.0192428100000000, 0.0070478500000000, 0.0075287300000000 ] - [ -0.0036373200000000, -0.0000058200000000, 0.0000507900000000 ] - [ -0.0008815700000000, 0.0015861000000000, 0.0000924800000000 ] - [ 0.0017672300000000, 0.0000013700000000, 0.0000495100000000 ] - [ -0.0008848000000000, -0.0015940700000000, 0.0000062200000000 ] - [ 0.0000777800000000, 0.0000000400000000, 0.0000497400000000 ] - [ -0.0000390900000000, 0.0000462200000000, 0.0000958100000000 ] - [ -0.0000392900000000, -0.0000458000000000, 0.0000048600000000 ] - [ 0.0000608500000000, 0.0000097400000000, 0.0000282200000000 ] - [ 0.0000612500000000, -0.0000095200000000, 0.0000727000000000 ] - [ -0.0001223100000000, -0.0000003000000000, 0.0000510900000000 ] - [ -0.0000201700000000, 0.0000590300000000, 0.0000741600000000 ] - [ 0.0000405700000000, 0.0000002900000000, 0.0000536100000000 ] - [ -0.0000204800000000, -0.0000588200000000, 0.0000296900000000 ] - [ 0.0002788200000000, -0.0000013800000000, 0.0000510800000000 ] - [ -0.0001160500000000, 0.0001919500000000, -0.0001102400000000 ] - [ -0.0001198100000000, -0.0001914900000000, 0.0002145600000000 ] - [ 0.0002814900000000, -0.0000018500000000, 0.0002362700000000 ] - [ 0.0002863500000000, 0.0000039800000000, -0.0001366800000000 ] - [ -0.0005166500000000, -0.0000006600000000, 0.0000493100000000 ] - [ -0.0001067800000000, 0.0002353500000000, 0.0001286000000000 ] - [ 0.0002141100000000, 0.0000010800000000, 0.0000510700000000 ] - [ -0.0001074600000000, -0.0002375500000000, -0.0000241900000000 ] - [ 0.0025293100000000, 0.0000001100000000, 0.0000515500000000 ] - [ -0.0013623800000000, 0.0006823000000000, 0.0009710500000000 ] - [ -0.0013664500000000, -0.0006830700000000, -0.0008720900000000 ] - [ 0.0003976300000000, 0.0012287200000000, -0.0009250500000000 ] - [ 0.0004026800000000, -0.0012298500000000, 0.0010265500000000 ] - [ -0.0008557200000000, 0.0000002000000000, 0.0000526500000000 ] - [ 0.0000717800000000, 0.0005340400000000, -0.0001231300000000 ] - [ -0.0001820000000000, 0.0000013200000000, 0.0000536800000000 ] - [ 0.0000715800000000, -0.0005368000000000, 0.0002237000000000 ] - [ 0.0050963200000000, -0.0010806200000000, -0.0015146700000000 ] - [ -0.0020200200000000, 0.0000026000000000, 0.0000201900000000 ] - [ 0.0048932200000000, 0.0009682800000000, 0.0013689900000000 ] - [ 0.0032209900000000, -0.0000216600000000, 0.0000402300000000 ] - [ -0.0011321800000000, -0.0009865800000000, 0.0008520000000000 ] - [ -0.0011282800000000, 0.0009791600000000, -0.0008136700000000 ] - [ -0.0002790200000000, 0.0010041600000000, -0.0003130300000000 ] - [ -0.0002806900000000, -0.0010051600000000, 0.0003466700000000 ] - [ 0.0005721100000000, -0.0000029800000000, 0.0000138600000000 ] - [ 0.0000222600000000, 0.0000192100000000, -0.0000316500000000 ] - [ -0.0000447700000000, 0.0000001000000000, 0.0000158300000000 ] - [ 0.0000218000000000, -0.0000192200000000, 0.0000650300000000 ] - [ 0.0000553300000000, 0.0000001200000000, 0.0000166900000000 ] - [ -0.0000266700000000, -0.0000089900000000, -0.0000564800000000 ] - [ -0.0000271300000000, 0.0000088200000000, 0.0000887600000000 ] - [ 0.0000056100000000, 0.0000290900000000, 0.0000389900000000 ] - [ 0.0000055200000000, -0.0000290100000000, -0.0000064300000000 ] - [ -0.0000114900000000, -0.0000001700000000, 0.0000165200000000 ] - [ 0.0030552200000000, 0.0000052500000000, 0.0000113200000000 ] - [ -0.0010604800000000, 0.0002459600000000, -0.0014414500000000 ] - [ -0.0010578100000000, -0.0002452900000000, 0.0014626200000000 ] - [ 0.0001505300000000, 0.0009565200000000, 0.0010567600000000 ] - [ 0.0001509400000000, -0.0009595300000000, -0.0010287700000000 ] - [ -0.0003582300000000, -0.0000017300000000, 0.0000155800000000 ] - [ 0.0001667800000000, 0.0004447600000000, -0.0003908200000000 ] - [ -0.0003032500000000, 0.0000008600000000, 0.0000149800000000 ] - [ 0.0001586700000000, -0.0004471700000000, 0.0004275800000000 ] - [ 0.0004233900000000, -0.0000002500000000, 0.0000162600000000 ] - [ -0.0002107500000000, -0.0000435000000000, 0.0002266000000000 ] - [ -0.0002111100000000, 0.0000435400000000, -0.0001934800000000 ] - [ 0.0000643600000000, 0.0001231500000000, -0.0000393700000000 ] - [ 0.0000650400000000, -0.0001233800000000, 0.0000720000000000 ] - [ -0.0001300300000000, -0.0000003700000000, 0.0000165800000000 ] - [ 0.0000713200000000, 0.0001988800000000, 0.0001708100000000 ] - [ -0.0001446100000000, 0.0000001300000000, 0.0000163000000000 ] - [ 0.0000713200000000, -0.0001988000000000, -0.0001380000000000 ] - [ -0.0799421300000000, -0.0005475200000000, -0.0002336900000000 ] - [ 0.0122209300000000, -0.0005824000000000, -0.0001002500000000 ] - [ 0.0121006300000000, 0.0005775800000000, 0.0000970400000000 ] - [ 0.0000240900000000, -0.0075734100000000, 0.0012402900000000 ] - [ 0.0000149300000000, 0.0076054500000000, -0.0012415200000000 ] - [ 0.0017927100000000, 0.0000069400000000, 0.0000021500000000 ] - [ -0.0000014600000000, -0.0064334800000000, 0.0011465500000000 ] - [ 0.0017931500000000, -0.0000039800000000, -0.0000004000000000 ] - [ 0.0000401700000000, 0.0064251200000000, -0.0011377600000000 ] - [ -0.0000890000000000, -0.0000004200000000, 0.0000007800000000 ] - [ 0.0000443100000000, -0.0000007000000000, -0.0000798200000000 ] - [ 0.0000450800000000, -0.0000000300000000, 0.0000813900000000 ] - [ -0.0000223600000000, -0.0000395200000000, 0.0000144900000000 ] - [ -0.0000224800000000, 0.0000388300000000, -0.0000130100000000 ] - [ 0.0000454300000000, 0.0000001400000000, 0.0000007800000000 ] - [ -0.0000227100000000, -0.0000384500000000, -0.0000660300000000 ] - [ 0.0000453700000000, -0.0000003600000000, 0.0000009100000000 ] - [ -0.0000223300000000, 0.0000382500000000, 0.0000676200000000 ] - [ -0.0006330800000000, -0.0002128000000000, 0.0008099400000000 ] - [ 0.0011850800000000, -0.0000018500000000, 0.0000041700000000 ] - [ -0.0006173900000000, 0.0002136900000000, -0.0008106000000000 ] - [ -0.0009945100000000, -0.0000064000000000, -0.0000011900000000 ] - [ 0.0005171500000000, 0.0004011600000000, 0.0007547800000000 ] - [ 0.0005189100000000, -0.0003972400000000, -0.0007484400000000 ] - [ 0.0000837000000000, -0.0006341300000000, -0.0001524400000000 ] - [ 0.0000870000000000, 0.0006358000000000, 0.0001547000000000 ] - [ -0.0001732100000000, 0.0000030500000000, -0.0000004000000000 ] - [ -0.0006251600000000, -0.0002134200000000, -0.0030302300000000 ] - [ 0.0011853400000000, -0.0000009400000000, -0.0000007100000000 ] - [ -0.0006256700000000, 0.0002131500000000, 0.0030317900000000 ] - [ -0.0009946200000000, 0.0000003000000000, 0.0000040100000000 ] - [ 0.0005172900000000, 0.0003997400000000, -0.0007398200000000 ] - [ 0.0005188000000000, -0.0003988000000000, 0.0007377500000000 ] - [ 0.0000859900000000, -0.0006349300000000, -0.0001936500000000 ] - [ 0.0000848900000000, 0.0006352700000000, 0.0001953600000000 ] - [ -0.0001734700000000, 0.0000005200000000, 0.0000019600000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001142100000000, 0.0001304500000000 ] - [ 0.0000182400000000, -0.0000105300000000, 0.0001021900000000 ] - [ -0.0000182400000000, -0.0000105300000000, 0.0001021900000000 ] - [ 0.0000989100000000, -0.0000571100000000, 0.0001304500000000 ] - [ -0.0000989100000000, -0.0000571100000000, 0.0001304500000000 ] - [ 0.0000000000000000, -0.0000135500000000, 0.0000488200000000 ] - [ 0.0000117300000000, 0.0000067700000000, 0.0000488200000000 ] - [ 0.0000000000000000, 0.0000210600000000, 0.0001021900000000 ] - [ -0.0000117300000000, 0.0000067700000000, 0.0000488200000000 ] - [ 0.0000000000000000, 0.0012259900000000, 0.0004611700000000 ] - [ -0.0006784500000000, 0.0003917000000000, 0.0001551300000000 ] - [ 0.0006784500000000, 0.0003917000000000, 0.0001551300000000 ] - [ 0.0010617400000000, -0.0006129900000000, 0.0004611700000000 ] - [ -0.0010617400000000, -0.0006129900000000, 0.0004611700000000 ] - [ 0.0000000000000000, -0.0000386700000000, -0.0001203600000000 ] - [ 0.0000334900000000, 0.0000193300000000, -0.0001203600000000 ] - [ 0.0000000000000000, -0.0007834000000000, 0.0001551300000000 ] - [ -0.0000334900000000, 0.0000193300000000, -0.0001203600000000 ] - [ 0.0000000000000000, -0.0056478000000000, 0.0017524500000000 ] - [ 0.0003376000000000, -0.0001949100000000, -0.0002144200000000 ] - [ -0.0003376000000000, -0.0001949100000000, -0.0002144200000000 ] - [ -0.0048911400000000, 0.0028239000000000, 0.0017524500000000 ] - [ 0.0048911400000000, 0.0028239000000000, 0.0017524500000000 ] - [ 0.0000000000000000, 0.0000966000000000, -0.0003141100000000 ] - [ -0.0000836600000000, -0.0000483000000000, -0.0003141100000000 ] - [ 0.0000000000000000, 0.0003898200000000, -0.0002144200000000 ] - [ 0.0000836600000000, -0.0000483000000000, -0.0003141100000000 ] - [ 0.0000000000000000, 0.0000525000000000, 0.0001126500000000 ] - [ -0.0000181900000000, 0.0000105000000000, 0.0000867700000000 ] - [ 0.0000181900000000, 0.0000105000000000, 0.0000867700000000 ] - [ 0.0000454700000000, -0.0000262500000000, 0.0001126500000000 ] - [ -0.0000454700000000, -0.0000262500000000, 0.0001126500000000 ] - [ 0.0000000000000000, -0.0000293100000000, 0.0000826100000000 ] - [ 0.0000253800000000, 0.0000146600000000, 0.0000826100000000 ] - [ 0.0000000000000000, -0.0000210100000000, 0.0000867700000000 ] - [ -0.0000253800000000, 0.0000146600000000, 0.0000826100000000 ] - [ 0.0000000000000000, -0.0040900400000000, 0.0084335600000000 ] - [ -0.0003681700000000, 0.0002125600000000, 0.0016521200000000 ] - [ 0.0003681700000000, 0.0002125600000000, 0.0016521200000000 ] - [ -0.0035420800000000, 0.0020450200000000, 0.0084335600000000 ] - [ 0.0035420800000000, 0.0020450200000000, 0.0084335600000000 ] - [ 0.0000000000000000, 0.0000370700000000, 0.0011253400000000 ] - [ -0.0000321000000000, -0.0000185400000000, 0.0011253400000000 ] - [ 0.0000000000000000, -0.0004251200000000, 0.0016521200000000 ] - [ 0.0000321000000000, -0.0000185400000000, 0.0011253400000000 ] - [ 0.0000000000000000, -0.0000175500000000, -0.0006921900000000 ] - [ -0.0000116400000000, 0.0000067200000000, -0.0006135200000000 ] - [ 0.0000116400000000, 0.0000067200000000, -0.0006135200000000 ] - [ -0.0000152000000000, 0.0000087800000000, -0.0006921900000000 ] - [ 0.0000152000000000, 0.0000087800000000, -0.0006921900000000 ] - [ 0.0000000000000000, 0.0000287400000000, -0.0006021000000000 ] - [ -0.0000248900000000, -0.0000143700000000, -0.0006021000000000 ] - [ 0.0000000000000000, -0.0000134500000000, -0.0006135200000000 ] - [ 0.0000248900000000, -0.0000143700000000, -0.0006021000000000 ] - [ 0.0000000000000000, 0.0011438100000000, -0.0011678700000000 ] - [ -0.0007020700000000, 0.0004053400000000, -0.0003896200000000 ] - [ 0.0007020700000000, 0.0004053400000000, -0.0003896200000000 ] - [ 0.0009905700000000, -0.0005719000000000, -0.0011678700000000 ] - [ -0.0009905700000000, -0.0005719000000000, -0.0011678700000000 ] - [ 0.0000000000000000, -0.0000300000000000, -0.0003473300000000 ] - [ 0.0000259800000000, 0.0000150000000000, -0.0003473300000000 ] - [ 0.0000000000000000, -0.0008106800000000, -0.0003896200000000 ] - [ -0.0000259800000000, 0.0000150000000000, -0.0003473300000000 ] - [ 0.0000000000000000, -0.0014237900000000, -0.0012785300000000 ] - [ 0.0008847700000000, -0.0005108200000000, -0.0006233000000000 ] - [ -0.0008847700000000, -0.0005108200000000, -0.0006233000000000 ] - [ -0.0012330400000000, 0.0007119000000000, -0.0012785300000000 ] - [ 0.0012330400000000, 0.0007119000000000, -0.0012785300000000 ] - [ 0.0000000000000000, 0.0000869800000000, 0.0000058300000000 ] - [ -0.0000753300000000, -0.0000434900000000, 0.0000058300000000 ] - [ 0.0000000000000000, 0.0010216500000000, -0.0006233000000000 ] - [ 0.0000753300000000, -0.0000434900000000, 0.0000058300000000 ] - [ -0.0032741700000000, 0.0018903500000000, 0.0063820900000000 ] - [ 0.0000000000000000, 0.0001151900000000, 0.0008820100000000 ] - [ 0.0032741700000000, 0.0018903500000000, 0.0063820900000000 ] - [ 0.0000000000000000, -0.0037806900000000, 0.0063820900000000 ] - [ 0.0004522800000000, 0.0002611300000000, 0.0009779100000000 ] - [ -0.0004522800000000, 0.0002611300000000, 0.0009779100000000 ] - [ -0.0000997500000000, -0.0000575900000000, 0.0008820100000000 ] - [ 0.0000997500000000, -0.0000575900000000, 0.0008820100000000 ] - [ 0.0000000000000000, -0.0005222500000000, 0.0009779100000000 ] - [ -0.0000736100000000, 0.0000425000000000, -0.0009089300000000 ] - [ 0.0000000000000000, -0.0000121900000000, -0.0005886100000000 ] - [ 0.0000736100000000, 0.0000425000000000, -0.0009089300000000 ] - [ 0.0000000000000000, -0.0000849900000000, -0.0009089300000000 ] - [ -0.0000862500000000, -0.0000498000000000, -0.0006328000000000 ] - [ 0.0000862500000000, -0.0000498000000000, -0.0006328000000000 ] - [ 0.0000105600000000, 0.0000061000000000, -0.0005886100000000 ] - [ -0.0000105600000000, 0.0000061000000000, -0.0005886100000000 ] - [ 0.0000000000000000, 0.0000995900000000, -0.0006328000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047801300000000 ] - [ -0.0009391000000000, -0.0000112300000000, 0.0003226500000000 ] - [ 0.0009391000000000, -0.0000112300000000, 0.0003226500000000 ] - [ 0.0004792800000000, -0.0008076600000000, 0.0003226500000000 ] - [ -0.0004792800000000, -0.0008076600000000, 0.0003226500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005118200000000 ] - [ -0.0004598200000000, 0.0008189000000000, 0.0003226500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005428600000000 ] - [ 0.0004598200000000, 0.0008189000000000, 0.0003226500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009906000000000 ] - [ 0.0001868100000000, 0.0000578600000000, -0.0007095000000000 ] - [ -0.0001868100000000, 0.0000578600000000, -0.0007095000000000 ] - [ -0.0001435200000000, 0.0001328600000000, -0.0007095000000000 ] - [ 0.0001435200000000, 0.0001328600000000, -0.0007095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005703800000000 ] - [ 0.0000433000000000, -0.0001907200000000, -0.0007095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005944700000000 ] - [ -0.0000433000000000, -0.0001907200000000, -0.0007095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0462364200000000 ] - [ 0.0000846700000000, -0.0013715400000000, -0.0044401500000000 ] - [ -0.0000846700000000, -0.0013715400000000, -0.0044401500000000 ] - [ 0.0011454500000000, 0.0007591000000000, -0.0044401500000000 ] - [ -0.0011454500000000, 0.0007591000000000, -0.0044401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018405200000000 ] - [ 0.0012301200000000, 0.0006124400000000, -0.0044401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018419800000000 ] - [ -0.0012301200000000, 0.0006124400000000, -0.0044401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015127700000000 ] - [ 0.0000808300000000, 0.0000309200000000, 0.0012506600000000 ] - [ -0.0000808300000000, 0.0000309200000000, 0.0012506600000000 ] - [ -0.0000671900000000, 0.0000545400000000, 0.0012506600000000 ] - [ 0.0000671900000000, 0.0000545400000000, 0.0012506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011266400000000 ] - [ 0.0000136400000000, -0.0000854600000000, 0.0012506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011268200000000 ] - [ -0.0000136400000000, -0.0000854600000000, 0.0012506600000000 ] - [ 0.0030374100000000, -0.0017536500000000, 0.0027176100000000 ] - [ 0.0000000000000000, -0.0002244800000000, 0.0004884900000000 ] - [ -0.0030374100000000, -0.0017536500000000, 0.0027176100000000 ] - [ 0.0000000000000000, 0.0035073000000000, 0.0027176100000000 ] - [ 0.0007400700000000, 0.0004272800000000, 0.0005010000000000 ] - [ -0.0007400700000000, 0.0004272800000000, 0.0005010000000000 ] - [ 0.0001944000000000, 0.0001122400000000, 0.0004884900000000 ] - [ -0.0001944000000000, 0.0001122400000000, 0.0004884900000000 ] - [ 0.0000000000000000, -0.0008545600000000, 0.0005010000000000 ] - [ -0.0008051200000000, 0.0004648400000000, 0.0027102000000000 ] - [ 0.0000000000000000, -0.0001777400000000, 0.0004915500000000 ] - [ 0.0008051200000000, 0.0004648400000000, 0.0027102000000000 ] - [ 0.0000000000000000, -0.0009296800000000, 0.0027102000000000 ] - [ -0.0007497000000000, -0.0004328400000000, 0.0005042100000000 ] - [ 0.0007497000000000, -0.0004328400000000, 0.0005042100000000 ] - [ 0.0001539300000000, 0.0000888700000000, 0.0004915500000000 ] - [ -0.0001539300000000, 0.0000888700000000, 0.0004915500000000 ] - [ 0.0000000000000000, 0.0008656800000000, 0.0005042100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0001134400000000, -0.0002678900000000 ] - [ -0.0000179900000000, 0.0000103900000000, -0.0002350400000000 ] - [ 0.0000179900000000, 0.0000103900000000, -0.0002350400000000 ] - [ -0.0000982400000000, 0.0000567200000000, -0.0002678900000000 ] - [ 0.0000982400000000, 0.0000567200000000, -0.0002678900000000 ] - [ 0.0000000000000000, 0.0000134600000000, -0.0001843900000000 ] - [ -0.0000116500000000, -0.0000067300000000, -0.0001843900000000 ] - [ 0.0000000000000000, -0.0000207700000000, -0.0002350400000000 ] - [ 0.0000116500000000, -0.0000067300000000, -0.0001843900000000 ] - [ 0.0000000000000000, -0.0012368400000000, -0.0005947500000000 ] - [ 0.0006774500000000, -0.0003911300000000, -0.0002933200000000 ] - [ -0.0006774500000000, -0.0003911300000000, -0.0002933200000000 ] - [ -0.0010711300000000, 0.0006184200000000, -0.0005947500000000 ] - [ 0.0010711300000000, 0.0006184200000000, -0.0005947500000000 ] - [ 0.0000000000000000, 0.0000387600000000, -0.0000121600000000 ] - [ -0.0000335700000000, -0.0000193800000000, -0.0000121600000000 ] - [ 0.0000000000000000, 0.0007822500000000, -0.0002933200000000 ] - [ 0.0000335700000000, -0.0000193800000000, -0.0000121600000000 ] - [ 0.0000000000000000, 0.0056155800000000, -0.0018852100000000 ] - [ -0.0003380900000000, 0.0001951900000000, 0.0000755100000000 ] - [ 0.0003380900000000, 0.0001951900000000, 0.0000755100000000 ] - [ 0.0048632400000000, -0.0028077900000000, -0.0018852100000000 ] - [ -0.0048632400000000, -0.0028077900000000, -0.0018852100000000 ] - [ 0.0000000000000000, -0.0000958400000000, 0.0001839400000000 ] - [ 0.0000830000000000, 0.0000479200000000, 0.0001839400000000 ] - [ 0.0000000000000000, -0.0003903900000000, 0.0000755100000000 ] - [ -0.0000830000000000, 0.0000479200000000, 0.0001839400000000 ] - [ 0.0000000000000000, -0.0000528300000000, -0.0002450800000000 ] - [ 0.0000183200000000, -0.0000105800000000, -0.0002204900000000 ] - [ -0.0000183200000000, -0.0000105800000000, -0.0002204900000000 ] - [ -0.0000457600000000, 0.0000264200000000, -0.0002450800000000 ] - [ 0.0000457600000000, 0.0000264200000000, -0.0002450800000000 ] - [ 0.0000000000000000, 0.0000293100000000, -0.0002230600000000 ] - [ -0.0000253900000000, -0.0000146600000000, -0.0002230600000000 ] - [ 0.0000000000000000, 0.0000211600000000, -0.0002204900000000 ] - [ 0.0000253900000000, -0.0000146600000000, -0.0002230600000000 ] - [ 0.0000000000000000, 0.0040052200000000, -0.0083825000000000 ] - [ 0.0003717200000000, -0.0002146100000000, -0.0015472400000000 ] - [ -0.0003717200000000, -0.0002146100000000, -0.0015472400000000 ] - [ 0.0034686200000000, -0.0020026100000000, -0.0083825000000000 ] - [ -0.0034686200000000, -0.0020026100000000, -0.0083825000000000 ] - [ 0.0000000000000000, -0.0000357500000000, -0.0010302200000000 ] - [ 0.0000309600000000, 0.0000178800000000, -0.0010302200000000 ] - [ 0.0000000000000000, 0.0004292300000000, -0.0015472400000000 ] - [ -0.0000309600000000, 0.0000178800000000, -0.0010302200000000 ] - [ 0.0000000000000000, 0.0000182000000000, 0.0007902600000000 ] - [ 0.0000113500000000, -0.0000065500000000, 0.0007128700000000 ] - [ -0.0000113500000000, -0.0000065500000000, 0.0007128700000000 ] - [ 0.0000157600000000, -0.0000091000000000, 0.0007902600000000 ] - [ -0.0000157600000000, -0.0000091000000000, 0.0007902600000000 ] - [ 0.0000000000000000, -0.0000289600000000, 0.0007088300000000 ] - [ 0.0000250800000000, 0.0000144800000000, 0.0007088300000000 ] - [ 0.0000000000000000, 0.0000131100000000, 0.0007128700000000 ] - [ -0.0000250800000000, 0.0000144800000000, 0.0007088300000000 ] - [ 0.0000000000000000, -0.0011403600000000, 0.0012686900000000 ] - [ 0.0006990900000000, -0.0004036200000000, 0.0004888900000000 ] - [ -0.0006990900000000, -0.0004036200000000, 0.0004888900000000 ] - [ -0.0009875800000000, 0.0005701800000000, 0.0012686900000000 ] - [ 0.0009875800000000, 0.0005701800000000, 0.0012686900000000 ] - [ 0.0000000000000000, 0.0000299100000000, 0.0004495900000000 ] - [ -0.0000259000000000, -0.0000149500000000, 0.0004495900000000 ] - [ 0.0000000000000000, 0.0008072400000000, 0.0004888900000000 ] - [ 0.0000259000000000, -0.0000149500000000, 0.0004495900000000 ] - [ 0.0000000000000000, 0.0014348800000000, 0.0013789400000000 ] - [ -0.0008856200000000, 0.0005113100000000, 0.0007241100000000 ] - [ 0.0008856200000000, 0.0005113100000000, 0.0007241100000000 ] - [ 0.0012426400000000, -0.0007174400000000, 0.0013789400000000 ] - [ -0.0012426400000000, -0.0007174400000000, 0.0013789400000000 ] - [ 0.0000000000000000, -0.0000860500000000, 0.0000902000000000 ] - [ 0.0000745200000000, 0.0000430200000000, 0.0000902000000000 ] - [ 0.0000000000000000, -0.0010226300000000, 0.0007241100000000 ] - [ -0.0000745200000000, 0.0000430200000000, 0.0000902000000000 ] - [ 0.0034506000000000, -0.0019922100000000, -0.0064776400000000 ] - [ 0.0000000000000000, -0.0001157900000000, -0.0008537000000000 ] - [ -0.0034506000000000, -0.0019922100000000, -0.0064776400000000 ] - [ 0.0000000000000000, 0.0039844100000000, -0.0064776400000000 ] - [ -0.0004531400000000, -0.0002616200000000, -0.0009514300000000 ] - [ 0.0004531400000000, -0.0002616200000000, -0.0009514300000000 ] - [ 0.0001002700000000, 0.0000578900000000, -0.0008537000000000 ] - [ -0.0001002700000000, 0.0000578900000000, -0.0008537000000000 ] - [ 0.0000000000000000, 0.0005232400000000, -0.0009514300000000 ] - [ 0.0000732500000000, -0.0000422900000000, 0.0009405500000000 ] - [ 0.0000000000000000, 0.0000120600000000, 0.0006212400000000 ] - [ -0.0000732500000000, -0.0000422900000000, 0.0009405500000000 ] - [ 0.0000000000000000, 0.0000845800000000, 0.0009405500000000 ] - [ 0.0000858500000000, 0.0000495600000000, 0.0006654100000000 ] - [ -0.0000858500000000, 0.0000495600000000, 0.0006654100000000 ] - [ -0.0000104400000000, -0.0000060300000000, 0.0006212400000000 ] - [ 0.0000104400000000, -0.0000060300000000, 0.0006212400000000 ] - [ 0.0000000000000000, -0.0000991300000000, 0.0006654100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042190000000000 ] - [ 0.0009357500000000, 0.0000096200000000, -0.0002852900000000 ] - [ -0.0009357500000000, 0.0000096200000000, -0.0002852900000000 ] - [ -0.0004762100000000, 0.0008055700000000, -0.0002852900000000 ] - [ 0.0004762100000000, 0.0008055700000000, -0.0002852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766700000000 ] - [ 0.0004595400000000, -0.0008151900000000, -0.0002852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005074600000000 ] - [ -0.0004595400000000, -0.0008151900000000, -0.0002852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010248300000000 ] - [ -0.0001881500000000, -0.0000576900000000, 0.0007418900000000 ] - [ 0.0001881500000000, -0.0000576900000000, 0.0007418900000000 ] - [ 0.0001440400000000, -0.0001341000000000, 0.0007418900000000 ] - [ -0.0001440400000000, -0.0001341000000000, 0.0007418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006030800000000 ] - [ -0.0000441200000000, 0.0001917900000000, 0.0007418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006254300000000 ] - [ 0.0000441200000000, 0.0001917900000000, 0.0007418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0461740000000000 ] - [ -0.0001120000000000, 0.0013802600000000, 0.0044495800000000 ] - [ 0.0001120000000000, 0.0013802600000000, 0.0044495800000000 ] - [ -0.0011393400000000, -0.0007871300000000, 0.0044495800000000 ] - [ 0.0011393400000000, -0.0007871300000000, 0.0044495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018451400000000 ] - [ -0.0012513400000000, -0.0005931300000000, 0.0044495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018435500000000 ] - [ 0.0012513400000000, -0.0005931300000000, 0.0044495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015103100000000 ] - [ -0.0000800300000000, -0.0000308200000000, -0.0012483000000000 ] - [ 0.0000800300000000, -0.0000308200000000, -0.0012483000000000 ] - [ 0.0000667100000000, -0.0000539000000000, -0.0012483000000000 ] - [ -0.0000667100000000, -0.0000539000000000, -0.0012483000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011249100000000 ] - [ -0.0000133200000000, 0.0000847200000000, -0.0012483000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246400000000 ] - [ 0.0000133200000000, 0.0000847200000000, -0.0012483000000000 ] - [ -0.0030241500000000, 0.0017459900000000, -0.0027047600000000 ] - [ 0.0000000000000000, 0.0002246800000000, -0.0004889700000000 ] - [ 0.0030241500000000, 0.0017459900000000, -0.0027047600000000 ] - [ 0.0000000000000000, -0.0034919800000000, -0.0027047600000000 ] - [ -0.0007373800000000, -0.0004257300000000, -0.0005022700000000 ] - [ 0.0007373800000000, -0.0004257300000000, -0.0005022700000000 ] - [ -0.0001945800000000, -0.0001123400000000, -0.0004889700000000 ] - [ 0.0001945800000000, -0.0001123400000000, -0.0004889700000000 ] - [ 0.0000000000000000, 0.0008514600000000, -0.0005022700000000 ] - [ 0.0008158000000000, -0.0004710000000000, -0.0027132000000000 ] - [ 0.0000000000000000, 0.0001768100000000, -0.0004863500000000 ] - [ -0.0008158000000000, -0.0004710000000000, -0.0027132000000000 ] - [ 0.0000000000000000, 0.0009420100000000, -0.0027132000000000 ] - [ 0.0007535900000000, 0.0004350900000000, -0.0004994700000000 ] - [ -0.0007535900000000, 0.0004350900000000, -0.0004994700000000 ] - [ -0.0001531300000000, -0.0000884100000000, -0.0004863500000000 ] - [ 0.0001531300000000, -0.0000884100000000, -0.0004863500000000 ] - [ 0.0000000000000000, -0.0008701700000000, -0.0004994700000000 ]